SCHEMBL348792

SCHEMBL348792

CC(C(=O)Cl)c1ccc(CBr)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.46
PTGS1 P23219 11/20 0.46
PTGS2 P35354 10/20 0.46
CXCR1 P25024 3/20 0.46
CXCR2 P25025 3/20 0.46
LMNA P02545 2/20 0.46
CYP2C9 P11712 2/20 0.46
AKR1C3 P42330 2/20 0.46
ALB P02768 1/20 0.46
ESR1 P03372 1/20 0.46
ALOX5 P09917 1/20 0.46
RARB P10826 1/20 0.46
ADRB3 P13945 1/20 0.46
NFKB1 P19838 1/20 0.46
HTR2A P28223 1/20 0.46
NR1I3 Q14994 1/20 0.46
SLC22A6 Q4U2R8 1/20 0.46
CXCL8 P10145 1/20 0.46
TSHR P16473 1/20 0.46
AKR1C2 P52895 1/20 0.46

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
SCHEMBL28776367 0.85 FAAH (0.44) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL27791170 0.84 PTGS1 (0.48) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL9257901 0.83 PTGS2 (0.46) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL346789 0.82 PTGS2 (0.67) PTGS1PTGS2CXCR1CXCR2LMNA
SCHEMBL18905163 0.82 PTGS1 (0.52) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL29107974 0.81 EPHX1 (0.68) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL1028462 0.81 CXCR1 (0.70) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL3894104 0.81 CXCR1 (0.70) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL1028463 0.81 CXCR1 (0.70) FAAHPTGS1PTGS2CXCR1CXCR2
SCHEMBL18905166 0.79 FAAH (0.49) FAAHPTGS1PTGS2CXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1719768-B1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2012-04-25 EP disclosed
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS ASAHI KASEI PHARMA CORPORATION (JP) 2012-01-19 US disclosed
CN-102293773-A Drug with benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORP 2011-12-28 CN disclosed
EP-1535913-B1 NOVEL QUATERNARY AMMONIUM COMPOUNDS ASAHI KASEI PHARMA CORP (JP) 2011-11-02 EP disclosed
US-7973030-B2 Benzothiazepine and benzothiepine compounds ASAHI KASEI PHARMA CORPORATION (JP) 2011-07-05 US disclosed
US-7803792-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2010-09-28 US disclosed
US-7312208-B2 Quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-12-25 US disclosed
US-20070203115-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2007-08-30 US disclosed
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds ASHAI KASEI PHARAMA CORPORATION (JP) 2007-08-16 US disclosed
EP-1719768-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2006-11-08 EP disclosed
EP-1535913-A1 NOVEL QUATERNARY AMMONIUM COMPOUNDS Asahi Kasei Pharma Corporation (JP) 2005-06-01 EP disclosed
US-20050009805-A1 Novel quaternary ammonium compounds ASAHI KASEI PHARMA CORPORATION (JP) 2005-01-13 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-20070203115-A1 Novel quaternary ammonium compounds SLC10A2, SLC10A1, ABCB11 FAAH 684/4885PTGS1 3431/4885PTGS2 4065/4885
US-20050009805-A1 Novel quaternary ammonium compounds SLC10A1, GOT1, ACAT2 FAAH 297/4885PTGS1 2115/4885PTGS2 3233/4885
US-20120015925-A1 NOVEL BENZOTHIAZEPINE AND BENZOTHIEPINE COMPOUNDS SLC10A1, SREBF1, SPTLC1 FAAH 219/4885PTGS1 1309/4885PTGS2 2706/4885
US-20070190041-A1 Novel benzothiazepine and bensothiepine compounds SLC10A1, GOT1, CES1 FAAH 123/4885PTGS1 1079/4885PTGS2 2615/4885

“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.