SCHEMBL4175635

SCHEMBL4175635

CC(Cl)(Cc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
HIF1A Q16665 1/20 0.53
PPARG P37231 1/20 0.50
PPARA Q07869 1/20 0.50
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP3A4 P08684 2/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
CYP2D6 P10635 1/20 0.45
TRPA1 O75762 1/20 0.44
MMP8 P22894 4/20 0.44
CYP1A2 P05177 3/20 0.44
RECQL P46063 1/20 0.44
BLM P54132 1/20 0.43
MAPK1 P28482 1/20 0.42
FDPS P14324 1/20 0.42
MEN1 O00255 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
SCHEMBL12265997 1.00 SMN1; SMN2 (0.53) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL2943555 0.86 SMN1; SMN2 (0.47) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL10694426 0.84 SLC6A4 (0.52) PPARGPPARASLC6A2CYP3A4CYP2C9
SCHEMBL7391806 0.84 SMN1; SMN2 (0.50) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL5390078 0.84 PPARG (0.57) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL10887450 0.81 MMP8 (0.49) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL29223826 0.80 ALDH1A1 (0.47) SMN1; SMN2HIF1AALDH1A1CYP1A2MAPK1
SCHEMBL12266021 0.80 ALDH1A1 (0.47) SMN1; SMN2HIF1AALDH1A1CYP1A2MAPK1
SCHEMBL27908890 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HIF1APPARGPPARASLC6A2
SCHEMBL6548605 0.78 SMN1; SMN2 (0.57) SMN1; SMN2HIF1APPARGPPARASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8247609-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors Pharamleads (FR) 2012-08-21 US disclosed
US-8247608-B2 Aminoacid derivatives containing a disulfanyl group in the form of mixed disulfanyl and aminopeptidase N inhibitors PHARMALEADS (FR) 2012-08-21 US disclosed
US-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors PHARMALEADS (FR) 2009-05-21 US disclosed
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS PHARMALEADS (FR) 2009-01-08 US disclosed
EP-0980239-A1 COSMETIC SKIN CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 2000-02-23 EP disclosed
WO-1998051274-A1 COSMETIC SKIN CONDITIONING COMPOSITIONS UNILEVER PLC (GB) 1998-11-19 WO disclosed
WO-1998051659-A1 SALICYLOXY α-CARBOXY ACIDS AND PREPARATION THEREOF UNILEVER PLC (GB) 1998-11-19 WO disclosed
US-5762947-A CONTROLLING OILY SKIN ELIZABETH ARDEN CO., DIVISION OF CONOPCO, INC. (US) 1998-06-09 US disclosed
US-4670579-A Telomerization of olefins ETHYL CORPORATION (US) 1987-06-02 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 (2 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-20090131509-A1 Aminoacid Derivatives Containing a Disulfanyl Group in the form of Mixed Disulfanyl and Aminopeptidase N Inhibitors HRH4, OPRL1, CNR2 SMN1; SMN2 3606/4885HIF1A 657/4885PPARG 3496/4885
US-20090012153-A1 AMINOACID DERIVATIVES CONTAINING A DISULFANYL GROUP IN THE FORM OF MIXED DISULFANYL AND AMINOPEPTIDASE N INHIBITORS HRH4, CNR2, OPRM1 SMN1; SMN2 3486/4885HIF1A 739/4885PPARG 3376/4885

“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.