SCHEMBL1980665

SCHEMBL1980665

COc1cnc2sc(C(C)C(=O)O)nc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 4/20 0.41
PTGS2 P35354 3/20 0.40
AKR1C3 P42330 3/20 0.40
AKR1C2 P52895 3/20 0.40
PTGS1 P23219 2/20 0.40
CDC42 P60953 1/20 0.40
RAC1 P63000 1/20 0.40
CYP1A2 P05177 1/20 0.40
TSHR P16473 1/20 0.40
SLC22A6 Q4U2R8 1/20 0.40
HPGDS O60760 5/20 0.37
ALDH1A1 P00352 3/20 0.35
GLA P06280 2/20 0.35
HPGD P15428 2/20 0.35
F2 P00734 1/20 0.35
APP P05067 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL4933136 0.74 ALDH1A1 (0.33) CYP1A2TSHRALDH1A1HPGDSMN1; SMN2
SCHEMBL1980666 0.72 HDAC6 (0.50) CYP1A2ALDH1A1HPGDCYP2C19RAB9A
SCHEMBL4929686 0.71 PDK1 (0.45) AKR1C3AKR1C2TSHRALDH1A1GLA
SCHEMBL14820094 0.71 ALDH1A1 (0.38) HPGDSALDH1A1GLAHPGDF2
SCHEMBL1492745 0.69 AKR1C3 (0.67) PTGS2AKR1C3AKR1C2PTGS1CDC42
Hydrochloric Acid SCHEMBL2698899 0.68 AKR1C3 (0.65) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL30778131 0.66 AKR1C3 (0.55) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL31240242 0.64 PTGS2 (0.53) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL22031514 0.64 PTGS2 (0.53) PTGS2AKR1C3AKR1C2PTGS1CDC42
SCHEMBL28654157 0.64 ALDH1A1 (0.36) PTGS2AKR1C3AKR1C2PTGS1CDC42

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2318402-B1 Pyrrolidinyl-alkyl-amide derivatives their preparation and their therapeutic application as CCR3 receptor ligands SANOFI SA (FR) 2014-04-30 EP disclosed
US-8420636-B2 Pyrrolidinyl-alkyl-amide derivatives, their preparation, and their therapeutic application as CCR3 receptor ligands SANOFI (FR) 2013-04-16 US disclosed
US-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2011-06-16 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-20110144104-A1 PYRROLIDINYL-ALKYL-AMIDE DERIVATIVES, THEIR PREPARATION, AND THEIR THERAPEUTIC APPLICATION AS CCR3 RECEPTOR LIGANDS CCR3, CCR1, CCR4 PPARA 326/4885PTGS2 1963/4885AKR1C3 1400/4885

“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.