SCHEMBL7670596

SCHEMBL7670596

COc1c(Br)cc(C(=O)c2c(Cc3ccccc3)oc(C)c2C)cc1Br

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 5/20 0.53
HPGD P15428 4/20 0.44
LMNA P02545 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NR1H4 Q96RI1 4/20 0.41
CNR2 P34972 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2D6 P10635 1/20 0.38
PTPN1 P18031 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.37
SLC22A12 Q96S37 2/20 0.37
HTT P42858 1/20 0.37
EYA2 O00167 1/20 0.37
MEN1 O00255 1/20 0.37
ABCC4 O15439 1/20 0.37
PLIN1 O60240 1/20 0.37
NR1I2 O75469 1/20 0.37

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
SCHEMBL7674920 0.92 CYP2C19 (0.51) CYP2C19HPGDLMNASMN1; SMN2NR1H4
SCHEMBL6736525 0.86 CYP2C19 (0.46) CYP2C19HPGDLMNASMN1; SMN2NR1H4
SCHEMBL6731441 0.84 GLRA1 (0.43) CYP2C19HPGDLMNACNR2GPR55
SCHEMBL6738738 0.80 CYP2C19 (0.38) CYP2C19HPGDLMNASMN1; SMN2ALDH1A1
SCHEMBL7561055 0.78 CNR2 (0.39) CYP2C19HPGDLMNASMN1; SMN2CNR2
SCHEMBL6735422 0.78 CYP2C19 (0.36) CYP2C19HPGDLMNAL3MBTL1CYP1A2
SCHEMBL6734693 0.77 CYP2C9 (0.43) CYP2C19HPGDLMNANR1H4CNR2
SCHEMBL6731716 0.76 CYP2C19 (0.41) CYP2C19HPGDLMNANR1H4CNR2
SCHEMBL7561049 0.76 KMT2A (0.43) CYP2C19HPGDLMNASMN1; SMN2L3MBTL1
SCHEMBL6736985 0.75 GABRA1 (0.53) CYP2C19LMNACNR2GPR55CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6444670-B2 ENZYME INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES; ANTI-DIABETIC AGENTS; TREATMENT OF INSULIN RESISTANCE ASSOCIATED WITH OBESITY, GLUCOSE INTOLERANCE, DIABETES MELLITUS, HYPERTENSION AND ISCHEMIC DISEASES OF VESSELS WYETH 2002-09-03 US disclosed
US-20020002187-A1 Benzothiophenes, benzofurans, and indoles useful in the treatment of insulin-resistance and hyperglycemia WYETH 2002-01-03 US disclosed
US-6251936-B1 ADMINISTERING TO THE PATIENT SUFFERING FROM METABOLIC DISORDERS MEDIATED BY INSULIN RESISTANCE OR HYPERGLYCEMIA A BENZENE OR PYRIDINE SUBSTITUTED INDOLE OR BENZOTHIOPHENE DERIVATIVES OR SALTS AMERICAN HOME PRODUCTS CORPORATION 2001-06-26 US disclosed
EP-1077969-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 2001-02-28 EP disclosed
WO-1999061435-A1 BENZOTHIOPHENES, BENZOFURANS, AND INDOLES USEFUL IN THE TREATMENT OF INSULIN RESISTANCE AND HYPERGLYCEMIA AMERICAN HOME PRODUCTS CORPORATION (US) 1999-12-02 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 (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-20020002187-A1 Benzothiophenes, benzofurans, and indoles useful in the treatment of insulin-resistance and hyperglycemia IRS1, INSR, GPR119 CYP2C19 1617/4885HPGD 4250/4885LMNA 3357/4885

“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.