Sugi Predict

Sugi Predict / Compounds / SCHEMBL3196649

SCHEMBL3196649

SCHEMBL3196649

O=C1OC(=O)[C@H]2[C@@H]3CCC[C@@H](CC3)[C@@H]12

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ GMNN O75496 1/20 0.48
▸ PPM1B O75688 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ PPP1CC P36873 1/20 0.48
▸ TFPI2 P48307 1/20 0.48
▸ RAB9A P51151 1/20 0.48
▸ PPP5C P53041 1/20 0.48
▸ PPP1CA P62136 1/20 0.48
▸ PMP22 Q01453 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ THPO P40225 1/20 0.48
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL3196644 1.00 KDM4E (0.48) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL394397 0.92 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL17243591 0.92 KDM4E (0.55) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL12268148 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL17988728 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL10050520 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL10194829 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL12317737 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL19215231 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC
SCHEMBL9605761 0.81 LMNA (0.50) KDM4EGMNNPPM1BLMNAPPP1CC

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7655688-B2 Treating nuclear hormone receptor-associated conditions such as cancer and immune disorders; (3a alpha ,4 alpha ,7 alpha ,7a alpha )-2-(3-Chloro-4-hydroxyphenyl)hexahydro-4,7-methano-1H-isoindole-1,3(2H)-dione BRISTOL-MYERS SQUIBB COMPANY (US) 2010-02-02 — — US disclosed
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function SALVATI MARK E 2006-05-25 — — US disclosed
US-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2004-05-06 — — US 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 (2 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-20040087548-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KDM4E 876/4885GMNN 2773/4885PPM1B 3032/4885
US-20060111424-A1 Fused cyclic succinimide compounds and analogs thereof, modulators of nuclear hormone receptor function NCOA1, ESRRA, NR5A1 KDM4E 876/4885GMNN 2773/4885PPM1B 3032/4885

“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.