SCHEMBL9965432

SCHEMBL9965432

CS(=O)(=O)c1cc(Cl)ccc1I

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 9/20 0.47
TRPV4 Q9HBA0 1/20 0.39
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
MCL1 Q07820 3/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL3770284 0.81 TRPV4 (0.48) CCR2TRPV4MCL1ALDH1A1KDM4E
SCHEMBL3767971 0.79 CA1 (0.46) MCL1ALDH1A1TSHRHPGDALOX15
SCHEMBL4589791 0.78 MCL1 (0.56) CCR2MCL1ALDH1A1KDM4ETSHR
SCHEMBL31239603 0.78 MCL1 (0.56) CCR2MCL1ALDH1A1KDM4ETSHR
SCHEMBL8406304 0.77 CDK1 (0.51) CCR2TRPV4ALDH1A1L3MBTL1
SCHEMBL4012968 0.77 CCR2 (0.56) CCR2TRPV4L3MBTL1
SCHEMBL30762457 0.77 CCR2 (0.56) CCR2TRPV4L3MBTL1
SCHEMBL23148806 0.75 TSHR (0.53) CCR2TRPV4ADRA2AADRA2CADRA1D
SCHEMBL11037064 0.75 CYP3A4 (0.48) CCR2TRPV4ADRA2AADRA2CADRA1D
SCHEMBL30019925 0.75 TSHR (0.53) CCR2TRPV4ADRA2AADRA2CADRA1D

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-1960347-B1 17-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 3 (17BETA-HSD3) INHIBITORS STERIX LTD (GB) 2012-06-20 EP disclosed
US-8119627-B2 Heterocyclic compounds as inhibitors of 17beta-HSD3 STERIX LIMITED (GB) 2012-02-21 US disclosed
US-20090023710-A1 Compound OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2009-01-22 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-20090023710-A1 Compound NR1H3, NR1H2, NR1H4 CCR2 131/4885TRPV4 2578/4885ADRA2A 448/4885

“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.