SCHEMBL8464477

SCHEMBL8464477

COC(=O)c1ccsc1C=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
MEN1 O00255 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 3/20 0.46
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
ATM Q13315 1/20 0.42
PDK2 Q15119 1/20 0.42
PDK4 Q16654 1/20 0.42
CNR2 P34972 1/20 0.41

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
SCHEMBL8565732 0.81 CA12 (0.36) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL8628177 0.81 TSHR (0.50) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL9583986 0.77 KMT2A (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9583995 0.77 KMT2A (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL9583991 0.77 KMT2A (0.33) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL5549783 0.76 MEN1 (0.44) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL70575 0.75 KMT2A (0.56) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3253578 0.75 MEN1 (0.36) KMT2AMEN1ALDH1A1LMNAPOLB
SCHEMBL163274 0.75 KMT2A (0.53) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL3252627 0.75 ALDH1A1 (0.55) KMT2AMEN1SMN1; SMN2ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190330226-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2019-10-31 US disclosed
US-10377743-B2 Inhibitors of RAS and methods of use thereof ARAXES PHARMA LLC (US) 2019-08-13 US disclosed
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC 2018-05-10 US disclosed
WO-2018068017-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF RAS AND METHODS OF USE THEREOF ARAXES PHARMA LLC (US) 2018-04-12 WO disclosed
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2010-01-14 US disclosed
US-7553861-B2 Dipeptidyl peptidase-IV inhibitors ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2009-06-30 US disclosed
US-5998451-A LIPOXYGENASE INHIBITORS PFIZER INC (US) 1999-12-07 US disclosed
US-5696162-A ANTIINFLAMMATORY AGENTS, SKIN DISORDERS, AUTOIMMUNE DISORDERS ALLERGAN (US) 1997-12-09 US disclosed
US-5677320-A SKIN DISORDERS, ANTIGROWTH AGENT, IMMUNOLOGY DISORDERS ALLERGAN (US) 1997-10-14 US disclosed
US-5602135-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, ARTHEROSCLEROSIS,IMMUNOLOGY, WOUND HEALING AGENT, VISION DEFECTS, SUNSCREEN AGENTS ALLERGAN 1997-02-11 US disclosed
EP-0724579-A1 PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY Allergan (US) 1996-08-07 EP disclosed
US-5475022-A Treating acne ALLERGAN, INC. (US) 1995-12-12 US disclosed
WO-1995011242-A1 PHENYL OR HETEROARYL AND TETRAHYDRONAPHTHYL SUBSTITUTED DIENE COMPOUNDS HAVING RETINOID LIKE BIOLOGICAL ACTIVITY ALLERGAN (US) 1995-04-27 WO disclosed
US-5059609-A Lipoxygenase inhibitors; leukotriene receptor blockers; psoriasis; antiulcer agents and myocardial infarctions PFIZER INC. (US) 1991-10-22 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 (4 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-10377743-B2 Inhibitors of RAS and methods of use thereof KRAS, NRAS, HRAS KMT2A 2631/4885MEN1 192/4885SMN1; SMN2 3470/4885
US-20100009961-A1 DIPEPTIDYL PEPTIDASE-IV INHIBITORS DPP4, DPP3, DPP7 KMT2A 2290/4885MEN1 3768/4885SMN1; SMN2 3639/4885
US-20190330226-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 KMT2A 908/4885MEN1 2381/4885SMN1; SMN2 972/4885
US-20180127396-A1 INHIBITORS OF RAS AND METHODS OF USE THEREOF KRAS, NRAS, HRAS KMT2A 2475/4885MEN1 266/4885SMN1; SMN2 3613/4885

“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.