SCHEMBL13853709

SCHEMBL13853709

CNC(=O)NCc1cccc(CNC(=O)OC(C)(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLS O94925 5/20 0.53
BRD4 O60885 3/20 0.48
CREBBP Q92793 1/20 0.48
KDM4A O75164 1/20 0.47
IDO1 P14902 1/20 0.45
NAMPT P43490 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA7 P43166 1/20 0.44
CA14 Q9ULX7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
HDAC1 Q13547 1/20 0.43
MAPT P10636 1/20 0.43
CYP3A4 P08684 1/20 0.43
BRD9 Q9H8M2 1/20 0.43
BAZ2B Q9UIF8 1/20 0.43
BAZ2A Q9UIF9 1/20 0.43

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
SCHEMBL16181822 0.88 GLS (0.55) GLSBRD4CREBBPKDM4AIDO1
SCHEMBL13853708 0.87 AURKA (0.53) GLSBRD4NAMPTL3MBTL1HDAC1
SCHEMBL28211519 0.86 GLS (0.62) GLSBRD4CREBBPKDM4ACYP3A4
SCHEMBL13981921 0.85 GLS (0.55) GLSBRD4CREBBPKDM4AIDO1
SCHEMBL8342682 0.85 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL1165088 0.85 GLS (0.55) GLSBRD4CREBBPKDM4AIDO1
SCHEMBL30069429 0.85 GLS (0.55) GLSBRD4CREBBPKDM4AIDO1
SCHEMBL3346015 0.84 GLS (0.54) GLSBRD4CREBBPKDM4AIDO1
SCHEMBL851272 0.84 GLS (0.55) GLSBRD4CREBBPKDM4ANAMPT
SCHEMBL5102152 0.84 GLS (0.54) GLSBRD4CREBBPKDM4ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354418-B2 Thiazolyl-dihydro-quinazolines BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-15 US disclosed
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-05-21 US disclosed
US-7517995-B2 Thiazolyl-dihydro-cyclopentapyrazole BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-14 US disclosed
US-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-08 US disclosed
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 US disclosed
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070259855-A1 THIAZOLYL-DIHYDRO-INDAZOLE ROR1, RORB, RORA GLS 798/4885BRD4 2385/4885CREBBP 2403/4885
US-20070238746-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 GLS 456/4885BRD4 2060/4885CREBBP 1895/4885
US-20090131424-A1 THIAZOLYL-DIHYDRO-CHINAZOLINE CYP3A7, UGT2B7, UGT1A7 GLS 456/4885BRD4 2060/4885CREBBP 1895/4885
US-20070238730-A1 THIAZOLYL-DIHYDRO-CYCLOPENTAPYRAZOLE REN, ROR1, RORB GLS 674/4885BRD4 3182/4885CREBBP 991/4885

“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.