SCHEMBL1302702

SCHEMBL1302702

COc1ccc(CCC(N)=S)cc1OC

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.64
ATM Q13315 2/20 0.62
KDM4E B2RXH2 1/20 0.62
MAPT P10636 1/20 0.61
CYP19A1 P11511 1/20 0.59
AOC3 Q16853 1/20 0.56
CA2 P00918 2/20 0.55
POLB P06746 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
STAT3 P40763 1/20 0.54
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
MEN1 O00255 3/20 0.52
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
TAAR1 Q96RJ0 1/20 0.50
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50

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
SCHEMBL6892260 0.86 KMT2A (0.50) KMT2AATMKDM4EMAPTCYP19A1
SCHEMBL11265688 0.86 MAPT (0.61) KMT2AATMKDM4EMAPTCYP19A1
SCHEMBL11269216 0.84 MAPT (0.64) KMT2AATMKDM4EMAPTCYP19A1
SCHEMBL28176844 0.82 KDM4E (0.62) KMT2AATMKDM4ECYP19A1AOC3
SCHEMBL1032004 0.82 KDM4E (0.62) KMT2AATMKDM4ECYP19A1AOC3
SCHEMBL2403628 0.81 ATM (0.61) KMT2AATMKDM4EMAPTCYP19A1
SCHEMBL11440293 0.81 MAPT (0.60) KMT2AATMKDM4EMAPTCYP19A1
Hydrochloric Acid SCHEMBL10448977 0.81 KDM4E (0.61) KMT2AATMKDM4ECYP19A1AOC3
SCHEMBL31157848 0.80 CYP19A1 (0.77) KMT2AATMKDM4EMAPTCYP19A1
SCHEMBL16641094 0.80 CYP19A1 (0.77) KMT2AATMKDM4EMAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2772488-B1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof INST PHARM & TOXICOLOGY AMMS (CN) 2016-11-02 EP disclosed
EP-2772488-A1 2,4,5-trisubstituted thiazole compounds,preparation methods,pharmaceutical compositions and medical uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L. A. China (CN) 2014-09-03 EP disclosed
US-8053581-B2 Trisubstituted thiazole compounds, preparations methods, pharmaceutical compositions and medicals uses thereof Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.C. China (CN) 2011-11-08 US disclosed
CN-101096363-B 2,4,5-three-substituted thiazole compound, preparation method, medicament composition and pharmacy use thereof INST PHARM & TOXICOLOGY AMMS 2011-05-11 CN disclosed
US-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF INSTITUTE OF PHARMACOLOGY AND TOXICOLOGY ACADEMY OF MILITARY MEDICAL SCIENCES P.L.A. CHINA (CN) 2009-12-03 US disclosed
EP-2042494-A1 2,4,5-TRISUBSTITUTED THIAZOLE COMPOUNDS,PREPARATION METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICAL USES THEREOF Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. (CN) 2009-04-01 EP disclosed
CN-101096363-A 2,4,5-three-substituted thiazole compound, preparation method, medicament composition and pharmacy use thereof POISON MED INST PLA MED ACAD (CN) 2008-01-02 CN 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 (1 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-20090298832-A1 TRISUBSTITUTED THIAZOLE COMPOUNDS, PREPARATIONS METHODS, PHARMACEUTICAL COMPOSITIONS AND MEDICALS USES THEREOF CETP, PLTP, MTTP KMT2A 4286/4885ATM 1819/4885KDM4E 3913/4885

“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.