SCHEMBL3756657

SCHEMBL3756657

Cc1cc(-c2cccs2)cc(C)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.50
KDM4E B2RXH2 4/20 0.45
FTO Q9C0B1 1/20 0.45
DHODH Q02127 1/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HDAC1 Q13547 3/20 0.42
HDAC2 Q92769 3/20 0.42
HDAC3 O15379 2/20 0.42
ERN1 O75460 3/20 0.41
DAO P14920 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
USP2 O75604 1/20 0.40
ERCC1 P07992 1/20 0.40
FEN1 P39748 1/20 0.40
ERCC4 Q92889 1/20 0.40
ALDH1A1 P00352 1/20 0.40
GLA P06280 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL27898694 0.82 ADORA2A (0.44) PTPN1KDM4EKMT2AHDAC1HDAC2
SCHEMBL10024278 0.80 KDM4E (0.54) PTPN1KDM4EFTODHODHHDAC1
SCHEMBL19328808 0.79 ERN1 (0.55) PTPN1KDM4EFTODHODHMEN1
SCHEMBL27813456 0.78 PTGS1 (0.50) PTPN1ERN1
SCHEMBL20110416 0.77 PRMT6 (0.47) KDM4EMEN1KMT2AHDAC1HDAC2
SCHEMBL27732259 0.77 PTGER2 (0.40) PTPN1KDM4EFTOMEN1KMT2A
SCHEMBL27836107 0.77 ALDH1A1 (0.50) PTPN1KDM4EMEN1KMT2AHDAC1
SCHEMBL3915007 0.77 TPMT (0.50) PTPN1KDM4EFTODHODHMEN1
SCHEMBL10024261 0.77 PTPN1 (0.55) PTPN1KDM4EFTODHODHHDAC1
SCHEMBL17469358 0.75 TNFRSF1A (0.42) KDM4EMEN1KMT2AHDAC2ERN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
EP-1942890-A4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2009-08-26 EP disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 US disclosed
EP-1942890-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2008-07-16 EP disclosed
WO-2006138350-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-12-28 WO 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 PTPN1 1609/4885KDM4E 4532/4885FTO 4816/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 PTPN1 1609/4885KDM4E 4532/4885FTO 4816/4885

“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.