SCHEMBL3879835

SCHEMBL3879835

Cc1ccc(OC(=O)Cl)cc1F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.44
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACHE P22303 2/20 0.41
KCNQ3 O43525 2/20 0.38
KCNQ2 O43526 2/20 0.38
KCNE1 P15382 2/20 0.38
KCNQ1 P51787 2/20 0.38
SLC6A3 Q01959 1/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
NPC1 O15118 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 4/20 0.37
KCNQ5 Q9NR82 1/20 0.37
LMNA P02545 2/20 0.37
HTT P42858 2/20 0.37
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PRNP P04156 1/20 0.36

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
SCHEMBL4780465 0.85 HTR2A (0.39) ACHEL3MBTL1NPC1TDP1KMT2A
SCHEMBL1432110 0.83 ACHE (0.59) MRGPRX4HDAC1HDAC6ACHETDP1
SCHEMBL4805336 0.82 CES2 (0.43) NPC1KMT2AHTTRAB9AGAA
SCHEMBL31126239 0.82 CES2 (0.43) NPC1KMT2AHTTRAB9AGAA
SCHEMBL3833650 0.82 L3MBTL1 (0.53) ACHEL3MBTL1NPC1TDP1KMT2A
SCHEMBL27565314 0.81 KMT2A (0.52) MRGPRX4HDAC1HDAC6ACHESLC6A3
SCHEMBL14870776 0.80 HDAC1 (0.46) MRGPRX4HDAC1HDAC6ACHESLC6A3
SCHEMBL23819693 0.79 CHRNA3 (0.50) KCNQ3KCNQ2KCNE1KCNQ1TDP1
SCHEMBL3880440 0.79 SMN1; SMN2 (0.43) ACHEL3MBTL1NPC1TDP1KMT2A
SCHEMBL18869516 0.79 THRB (0.46) MRGPRX4HDAC1HDAC6ACHESLC6A3

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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
EP-1218361-B1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-01-07 EP disclosed
EP-1218361-B1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL MYERS SQUIBB CO (US) 2009-01-07 EP disclosed
EP-1939188-A1 Oxa-and thiazole derivatives useful as antidiabetic and antiobesity agents Bristol-Myers Squibb Company (US) 2008-07-02 EP disclosed
EP-1939188-A1 Oxa-and thiazole derivatives useful as antidiabetic and antiobesity agents Bristol-Myers Squibb Company (US) 2008-07-02 EP disclosed
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY 2008-01-10 US disclosed
WO-2008006044-A2 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
WO-2008006044-A2 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD BRISTOL-MYERS SQUIBB COMPANY (US) 2008-01-10 WO disclosed
US-20040171644-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2004-09-02 US disclosed
US-20040147560-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2004-07-29 US disclosed
US-6727271-B2 OXAZOLE OR THIAZOLE DERIVATIVES; ANTILIPEMIC AGENTS, HYPOTENSIVES, ANTINEOPLASTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY 2004-04-27 US disclosed
US-6653314-B2 Modulate blood glucose levels, triglyceride levels, insulin levels and non-esterified fatty acid levels BRISTOL-MYERS SQUIBB COMPANY 2003-11-25 US disclosed
US-20030096846-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2003-05-22 US disclosed
US-20030087935-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2003-05-08 US disclosed
US-20030069275-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T (US) 2003-04-10 US disclosed
EP-1218361-A1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-07-03 EP disclosed
US-6414002-B1 ANTILIPEMIC AGENTS; ANTICANCER, ANTITUMOR AGENTS BRISTOL-MYERS SQUIBB COMPANY 2002-07-02 US disclosed
WO-2001021602-A1 OXA- AND THIAZOLE DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-03-29 WO 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 (6 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-20030069275-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP MRGPRX4 1881/4885HDAC1 276/4885HDAC6 364/4885
US-20040147560-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP MRGPRX4 2066/4885HDAC1 250/4885HDAC6 353/4885
US-20030096846-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP MRGPRX4 1881/4885HDAC1 276/4885HDAC6 364/4885
US-20030087935-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP MRGPRX4 1881/4885HDAC1 276/4885HDAC6 364/4885
US-20040171644-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, PNLIP MRGPRX4 1881/4885HDAC1 276/4885HDAC6 364/4885
US-20080009534-A1 SUBSTITUTED ACID DERIVATIVES USEFUL AS ANTIDIABETIC AND ANTIOBESITY AGENTS AND METHOD GPR119, LIPC, CEL MRGPRX4 1066/4885HDAC1 258/4885HDAC6 655/4885

“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.