SCHEMBL46552

SCHEMBL46552

COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)C1=O

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN22 Q9Y2R2 3/20 0.75
PSMB8 P28062 4/20 0.74
SLC1A3 P43003 5/20 0.74
ITGB2 P05107 3/20 0.68
ITGAM P11215 3/20 0.68
ENPP2 Q13822 1/20 0.66
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
RAB9A P51151 2/20 0.65
NPC1 O15118 1/20 0.65
GPR55 Q9Y2T6 1/20 0.65
STAT3 P40763 1/20 0.64
CTDSP1 Q9GZU7 1/20 0.61
TDP1 Q9NUW8 1/20 0.61
KDM4E B2RXH2 1/20 0.60
USP2 O75604 1/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.60

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
SCHEMBL5144867 1.00 PTPN22 (0.75) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL21337631 0.92 PTPN22 (0.69) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL20841772 0.87 PTPN22 (0.68) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL5146767 0.86 STAT3 (0.80) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL5146772 0.86 STAT3 (0.80) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL6397417 0.86 SLC1A3 (0.79) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL6397420 0.86 SLC1A3 (0.79) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL5143140 0.85 PTPN22 (0.66) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL5143138 0.85 PTPN22 (0.66) PTPN22PSMB8SLC1A3ITGB2ITGAM
SCHEMBL6390413 0.85 MEN1 (0.84) PTPN22PSMB8SLC1A3ITGB2ITGAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 WO disclosed
EP-1718308-A4 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORP (CA) 2007-07-18 EP disclosed
EP-1718308-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PainCeptor Pharma Corp. (CA) 2006-11-08 EP disclosed
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity PAINCEPTOR PHARMA CORPORATION (CA) 2005-12-22 US disclosed
WO-2005076695-A2 METHODS OF MODULATING NEUROTROPHIN-MEDIATED ACTIVITY PAINCEPTOR PHARMA CORPORATION (CA) 2005-08-25 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 (5 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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B PTPN22 3859/4885PSMB8 1855/4885SLC1A3 4237/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM PTPN22 3664/4885PSMB8 311/4885SLC1A3 3928/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B PTPN22 3859/4885PSMB8 1855/4885SLC1A3 4237/4885
US-20050282840-A1 Methods of modulating neurotrophin-mediated activity NGF, BDNF, NTRK2 PTPN22 1167/4885PSMB8 3663/4885SLC1A3 1224/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B PTPN22 3859/4885PSMB8 1855/4885SLC1A3 4237/4885

“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.