SCHEMBL3662281

SCHEMBL3662281

Cc1c(C(=O)O)ccc(Cl)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 1/20 0.44
CASP1 P29466 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
MYC P01106 2/20 0.42
NR4A1 P22736 1/20 0.42
CTSB P07858 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 2/20 0.40
ADRA2A P08913 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
MT-CO2 P00403 1/20 0.40
TTR P02766 1/20 0.40

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
SCHEMBL31636377 1.00 ALDH1A1 (0.44) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL16713045 0.84 CSNK2A2 (0.45) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL11801596 0.81 ALDH1A1 (0.48) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL27544752 0.81 CSNK2A2 (0.49) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL31636602 0.79 ABL1 (0.45) ALDH1A1TSHRCASP1SMN1; SMN2LMNA
SCHEMBL4670497 0.79 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL29041506 0.79 TSHR (0.52) ALDH1A1TSHRTP53CASP1SMN1; SMN2
SCHEMBL3980826 0.79 CYP1A2 (0.42) ALDH1A1TSHRSMN1; SMN2MYCNR4A1
SCHEMBL286718 0.79 HAAO (0.42) ALDH1A1TSHRTDP1MYCLMNA
SCHEMBL1468068 0.78 GABRA1 (0.43) ALDH1A1TSHRSMN1; SMN2CYP1A2CLCN2

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
CN-110312711-A Heterocyclic compound and its application method as RAS inhibitor 亚瑞克西斯制药公司 2019-10-08 CN disclosed
EP-2139843-B1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC (US) 2013-12-25 EP disclosed
EP-2139843-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS Amgen, Inc (US) 2010-01-06 EP disclosed
US-7572934-B2 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-08-11 US disclosed
US-20090111859-A1 Substituted biphenyl GPR40 modulators AMGEN INC. (US) 2009-04-30 US disclosed
WO-2008130514-A1 SUBSTITUTED BIPHENYL PHENOXY-, THIOPHENYL- AND AMINOPHENYLPROPANOIC ACID GPR40 MODULATORS AMGEN INC. (US) 2008-10-30 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-20090111859-A1 Substituted biphenyl GPR40 modulators GPR119, GPR65, GPR55 ALDH1A1 1149/4885TSHR 740/4885TP53 3776/4885

“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.