SCHEMBL13873006

SCHEMBL13873006

CC(C)(C)Cc1ccc(Cl)cc1S(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 5/20 0.41
EPHX2 P34913 1/20 0.39
ADRA1D P25100 2/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
PSEN1 P49768 2/20 0.38
PSEN2 P49810 2/20 0.38
APH1B Q8WW43 2/20 0.38
NCSTN Q92542 2/20 0.38
APH1A Q96BI3 2/20 0.38
PSENEN Q9NZ42 2/20 0.38
P2RX7 Q99572 1/20 0.37
MCL1 Q07820 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
GGPS1 O95749 1/20 0.37
RORC P51449 1/20 0.36
CNR2 P34972 1/20 0.36

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
SCHEMBL15713787 0.83 CCR2 (0.44) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL1139918 0.80 CCR2 (0.41) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL16616435 0.80 PSEN1 (0.47) CCR2PSEN1PSEN2APH1BNCSTN
SCHEMBL30122009 0.80 CCR2 (0.41) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL3922915 0.80 CCR2 (0.41) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL30122107 0.80 CCR2 (0.41) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL18213798 0.78 RORC (0.46) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL13875912 0.78 EPHX2 (0.47) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL19387990 0.77 MEN1 (0.42) CCR2EPHX2ADRA1DADRA2AADRA2C
SCHEMBL29070090 0.77 ALDH1A1 (0.41) CCR2EPHX2ADRA1DADRA2AADRA2C

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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 CCR2 4412/4885EPHX2 2/4885ADRA1D 4272/4885

“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.