SCHEMBL7188748

SCHEMBL7188748

O=P(O)(Oc1ccc(CSc2ccccn2)cc1Br)C(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 8/20 0.42
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
HPGD P15428 4/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
HDAC1 Q13547 1/20 0.39
GAA P10253 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
GFER P55789 2/20 0.35

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
SCHEMBL7188757 0.89 GRM2 (0.37) POLBMAPTALDH1A1RAB9ANPC1
SCHEMBL7188078 0.88 MAPT (0.40) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL7183056 0.88 GRM2 (0.38) POLBMAPTALDH1A1RAB9ANPC1
SCHEMBL7197501 0.83 RAB9A (0.37) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL7596364 0.82 PRNP (0.39) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL7193754 0.82 CXCR2 (0.39) MAPTALDH1A1RAB9ANPC1HPGD
SCHEMBL7188434 0.80 RAB9A (0.41) POLBMAPTALDH1A1RAB9ANPC1
SCHEMBL7194590 0.79 RAB9A (0.40) POLBMAPTALDH1A1RAB9ANPC1
SCHEMBL7199444 0.79 LRRK2 (0.36) POLBALDH1A1NPC1HPGDSMN1; SMN2
SCHEMBL7599157 0.79 PTPN1 (0.36) MAPTALDH1A1HPGDSMN1; SMN2HTT

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 POLB 3180/4885MAPT 4057/4885ALDH1A1 312/4885

“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.