Demethyl-Cantharidin

Demethyl-Cantharidin

SCHEMBL3195020

O=C1OC(=O)[C@H]2[C@@H]1[C@H]1CC[C@@H]2O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 5/20 1.00
▸ LMNA P02545 4/20 1.00
▸ PPM1B O75688 4/20 1.00
▸ SMN1; SMN2 Q16637 4/20 1.00
▸ KDM4E B2RXH2 3/20 1.00
▸ GMNN O75496 3/20 1.00
▸ TFPI2 P48307 3/20 1.00
▸ PMP22 Q01453 3/20 1.00
▸ NFKB1 P19838 3/20 1.00
▸ THPO P40225 3/20 1.00
▸ RAB9A P51151 3/20 1.00
▸ PPP1CC P36873 2/20 1.00
▸ PPP5C P53041 2/20 1.00
▸ PPP1CA P62136 2/20 1.00
▸ TDP1 Q9NUW8 1/20 1.00
▸ CYP2D6 P10635 1/20 1.00
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ TSHR P16473 2/20 0.35
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Demethyl-Cantharidin SCHEMBL9675442 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL6432892 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL3187662 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL177729 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL19318920 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Demethyl-Cantharidin SCHEMBL9906842 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
Norcantharidin SCHEMBL29380910 1.00 TP53 (1.00) TP53LMNAPPM1BSMN1; SMN2KDM4E
SCHEMBL16938608 0.84 KDM4E (0.71) TP53LMNAPPM1BSMN1; SMN2KDM4E
SCHEMBL17695028 0.84 KDM4E (0.71) TP53LMNAPPM1BSMN1; SMN2KDM4E
SCHEMBL12599313 0.74 KDM4E (0.57) TP53LMNAPPM1BSMN1; SMN2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230146638-A1 Treatment of EGFR-Driven Cancer with Fewer Side Effects G1 THERAPEUTICS, INC. (US) 2023-05-11 — — US disclosed
US-7655689-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-7517904-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-04-14 — — US disclosed
US-7470797-B2 Fused heterocyclic imido and amido compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-30 — — US disclosed
EP-1854798-A2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function Bristol-Myers Squibb Company (US) 2007-11-14 — — EP disclosed
EP-1319007-B9 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2007-10-10 — — EP disclosed
US-7141578-B2 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-28 — — US disclosed
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-11-23 — — US disclosed
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-10-05 — — US disclosed
EP-1319007-B1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL MYERS SQUIBB CO (US) 2006-03-01 — — EP disclosed
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2005-12-08 — — US disclosed
US-6953679-B2 Method for the preparation of fused heterocyclic succinimide compounds and analogs thereof BRISTOL-MYERS SQUIBB COMPANY (US) 2005-10-11 — — US disclosed
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E (US) 2005-09-01 — — US disclosed
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-09-09 — — US disclosed
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-04-22 — — US disclosed
EP-1319007-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION Bristol-Myers Squibb Company (US) 2003-06-18 — — EP disclosed
WO-2002024702-A1 FUSED HETEROCYCLIC SUCCINIMIDE COMPOUNDS AND ANALOGS THEREOF, MODULATORS OF NUCLEAR HORMONE RECEPTOR FUNCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-28 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040077605-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TP53 221/4885LMNA 3449/4885PPM1B 3722/4885
US-20060223832-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TP53 221/4885LMNA 3449/4885PPM1B 3722/4885
US-20050192253-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TP53 221/4885LMNA 3449/4885PPM1B 3722/4885
US-20060264459-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TP53 221/4885LMNA 3449/4885PPM1B 3722/4885
US-20050272799-A1 Fused Heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TP53 221/4885LMNA 3449/4885PPM1B 3722/4885
US-20040176324-A1 Fused heterocyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, NCOA3, NR5A2 TP53 221/4885LMNA 3449/4885PPM1B 3722/4885
US-20230146638-A1 Treatment of EGFR-Driven Cancer with Fewer Side Effects EGFR, CDK4, CDK6 TP53 89/4885LMNA 4227/4885PPM1B 1465/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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