SCHEMBL7187615

SCHEMBL7187615

O=P(O)(Oc1ccc(CSCc2ccccc2-c2ccccc2)cc1Br)C(F)F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 8/20 0.39
PDCD1 Q15116 4/20 0.39
PTPN1 P18031 2/20 0.35
PTGER1 P34995 1/20 0.35
PTGER4 P35408 1/20 0.35
PTGER3 P43115 1/20 0.35
PTGER2 P43116 1/20 0.35
S1PR1 P21453 2/20 0.33
S1PR4 O95977 1/20 0.33
S1PR5 Q9H228 1/20 0.33
MAPK1 P28482 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
S1PR3 Q99500 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL7187611 0.90 CD274 (0.39) CD274PDCD1PTPN1PTGER1PTGER4
SCHEMBL7599157 0.88 PTPN1 (0.36) CD274PDCD1PTPN1FFAR4
SCHEMBL7594345 0.88 PTPN1 (0.44) CD274PDCD1PTPN1S1PR1S1PR3
SCHEMBL7188022 0.86 SMN1; SMN2 (0.39) PTPN1KMT2ALMNAPOLB
SCHEMBL7599756 0.86 PTPN1 (0.39) PTPN1LMNA
SCHEMBL7188752 0.85 PTPN1 (0.34) PTPN1
SCHEMBL7183000 0.85 TP53 (0.38) PTPN1KMT2ALMNA
SCHEMBL7189759 0.85 ALDH1A1 (0.40) CD274PDCD1PTPN1KMT2ALMNA
SCHEMBL7189856 0.84 PTPN1 (0.39) PTPN1FFAR1FFAR4
SCHEMBL7186867 0.82 PTPN1 (0.32) PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US claimed
EP-1268494-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS Merck Frosst Canada & Co. (CA) 2003-01-02 EP disclosed
US-6498151-B2 PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS MERCK FROSST CANADA & CO. (CA) 2002-12-24 US disclosed
US-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors MERCK FROSST CANADA LTD. (CA) 2002-07-11 US disclosed
WO-2001070753-A1 SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS MERCK FROSST CANADA & CO. (CA) 2001-09-27 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 (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-20020091104-A1 Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors PTPRF, PTPRS, PTPRO CD274 1034/4885PDCD1 828/4885PTPN1 13/4885

“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.