SCHEMBL5318161

SCHEMBL5318161

Cc1ccc(Sc2ccccc2C(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
TDP1 Q9NUW8 3/20 0.46
MAPT P10636 3/20 0.46
HKDC1 Q2TB90 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP2C9 P11712 4/20 0.44
CYP2D6 P10635 3/20 0.44
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 3/20 0.44
HTR1A P08908 2/20 0.44
HTR3A P46098 2/20 0.44
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DHFR P00374 2/20 0.40
ICAM1 P05362 2/20 0.38
SELE P16581 2/20 0.38
VCAM1 P19320 2/20 0.38

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
SCHEMBL2888693 0.86 GABRA1 (0.41) L3MBTL1TDP1MAPTCYP2C9CYP2D6
SCHEMBL5313607 0.83 CYP2C9 (0.51) MAPTMEN1KMT2ACYP2C9CYP2D6
SCHEMBL14113377 0.83 SLC6A4 (0.50) L3MBTL1MAPTMEN1KMT2ANPSR1
SCHEMBL11121836 0.81 CYP1A2 (0.53) L3MBTL1TDP1MAPTHKDC1MEN1
SCHEMBL30548756 0.81 CYP1A2 (0.53) L3MBTL1TDP1MAPTHKDC1MEN1
SCHEMBL4808650 0.81 GABRA1 (0.48) L3MBTL1CYP1A2CYP3A4ICAM1GABRA1
SCHEMBL30389926 0.81 GABRA1 (0.48) L3MBTL1CYP1A2CYP3A4ICAM1GABRA1
SCHEMBL4801714 0.80 MMP2 (0.52) MEN1KMT2AHTR1AHTR3ADHFR
SCHEMBL2887963 0.78 MEN1 (0.41) MEN1KMT2ANPC1RAB9ASMN1; SMN2
SCHEMBL2886389 0.76 MAPT (0.51) TDP1MAPTMEN1KMT2ANPSR1

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-7579479-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-25 US disclosed
US-7241780-B2 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method BRISTOLS-MYERS SQUIBB COMPANY (US) 2007-07-10 US disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
WO-2007064869-A2 CATALYSTS FOR ARYL SULFIDE SYNTHESIS AND METHOD OF PRODUCING ARYL SULFIDES YALE UNIVERSITY (US) 2007-06-07 WO disclosed
US-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method CHENG PETER T 2007-01-18 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 (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-20070015797-A1 Substituted acid derivatives useful as antidiabetic and antiobesity agents and method GPR119, LIPC, ACACA L3MBTL1 1217/4885TDP1 4583/4885MAPT 4848/4885

“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.