SCHEMBL7188078

SCHEMBL7188078

O=P(O)(Oc1ccc(CSc2ncccn2)cc1Br)C(F)F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.40
KMT2A Q03164 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MEN1 O00255 2/20 0.39
PRKAG1 P54619 1/20 0.39
PRKAA1 Q13131 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PRKAB1 Q9Y478 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.38
MAPK1 P28482 1/20 0.38
HPGD P15428 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PKM P14618 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
HSD17B10 Q99714 2/20 0.38

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
SCHEMBL7188748 0.88 POLB (0.44) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7188434 0.87 RAB9A (0.41) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7194590 0.86 RAB9A (0.40) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7199444 0.82 LRRK2 (0.36) KMT2ASMN1; SMN2NPC1ALDH1A1MAPK1
SCHEMBL7197501 0.82 RAB9A (0.37) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7188306 0.82 MAPT (0.40) MAPTKMT2AMEN1ALDH1A1HPGD
SCHEMBL7195289 0.81 HTT (0.40) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7598907 0.81 MAOB (0.41) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL7188479 0.81 MAOA (0.41) MAPTKMT2AL3MBTL1ALDH1A1HPGD
SCHEMBL7190977 0.80 HRH3 (0.37) MAPTKMT2AMEN1TDP1L3MBTL1

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 MAPT 4057/4885KMT2A 3568/4885SMN1; SMN2 3541/4885

“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.