SCHEMBL9906203

SCHEMBL9906203

Cc1ccc([C@@H](O)[C@H](C)N)cc1NS(C)(=O)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.48
KDM4E B2RXH2 5/20 0.45
RECQL P46063 4/20 0.45
TDP1 Q9NUW8 4/20 0.45
MAPT P10636 4/20 0.45
LMNA P02545 3/20 0.45
KMT2A Q03164 2/20 0.45
HIF1A Q16665 2/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HSD17B10 Q99714 1/20 0.45
POLB P06746 1/20 0.45
APEX1 P27695 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
ADRB1 P08588 1/20 0.41
MIF P14174 1/20 0.41
HTR2A P28223 1/20 0.41

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
SCHEMBL9281433 0.85 ADRB3 (0.66) ADRB3KDM4ERECQLTDP1MAPT
SCHEMBL9281429 0.85 ADRB3 (0.66) ADRB3KDM4ERECQLTDP1MAPT
SCHEMBL1577102 0.85 ADRB3 (0.66) ADRB3KDM4ERECQLTDP1MAPT
SCHEMBL9908052 0.76 TRPV1 (0.44) ADRB3NPC1
SCHEMBL4816663 0.74 CYP19A1 (0.48) ADRB3ADRB1NPC1
SCHEMBL1285429 0.72 ADRB3 (0.42) ADRB3KDM4EMAPTLMNAKMT2A
SCHEMBL1474627 0.72 ADRB3 (0.42) ADRB3KDM4EMAPTLMNAKMT2A
SCHEMBL13685630 0.72 ADRB3 (0.42) ADRB3KDM4EMAPTLMNAKMT2A
Hydrochloric Acid SCHEMBL1473679 0.71 ADRB3 (0.41) ADRB3KDM4EMAPTLMNAKMT2A
SCHEMBL2336547 0.71 CCNT1 (0.49) KDM4EMAPTKMT2ATSHRPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8198330-B2 Therapeutic or prophylactic agent for diabetes, obesity, dyslipidemia or metabolic syndrome comprising benzylamine derivative or pharmaceutically acceptable acid addition salt thereof TORAY INDUSTRIES, INC. (JP) 2012-06-12 US disclosed
US-20110124733-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR DIABETES, OBESITY, DYSLIPIDEMIA OR METABOLIC SYNDROME COMPRISING BENZYLAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID TORAY INDUSTRIES, INC. (JP) 2011-05-26 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-20110124733-A1 THERAPEUTIC OR PROPHYLACTIC AGENT FOR DIABETES, OBESITY, DYSLIPIDEMIA OR METABOLIC SYNDROME COMPRISING BENZYLAMINE DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE ACID GPR119, LIPC, LIPA ADRB3 64/4885KDM4E 3716/4885RECQL 1154/4885

“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.