SCHEMBL7188714

SCHEMBL7188714

O=P(O)(Oc1ccc(CCCSc2nc(-c3ccccc3)cs2)cc1Br)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TP53 P04637 1/20 0.41
MCL1 Q07820 1/20 0.41
HTR1A P08908 1/20 0.39
HTR2A P28223 1/20 0.39
HTR7 P34969 1/20 0.39
RAB9A P51151 4/20 0.38
NPC1 O15118 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 2/20 0.38
TDP1 Q9NUW8 2/20 0.37
HTT P42858 1/20 0.36
CXCR2 P25025 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.33
MAPK1 P28482 3/20 0.33
LMNA P02545 2/20 0.33

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
SCHEMBL7183069 0.97 HTR1A (0.39) TSHRL3MBTL1TP53MCL1HTR1A
SCHEMBL7183037 0.90 TSHR (0.44) TSHRL3MBTL1TP53MCL1HTR1A
SCHEMBL7188710 0.80 PTPN1 (0.42) TSHRL3MBTL1TP53MCL1HTR1A
SCHEMBL7188757 0.78 GRM2 (0.37) L3MBTL1TP53RAB9ANPC1SMN1; SMN2
SCHEMBL7183062 0.78 PTPN1 (0.41) TSHRL3MBTL1TP53MCL1HTR1A
SCHEMBL7188434 0.78 RAB9A (0.41) TSHRL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL7202347 0.78 NPC1 (0.40) TSHRL3MBTL1RAB9ANPC1SMN1; SMN2
SCHEMBL7180342 0.77 PRNP (0.39) L3MBTL1RAB9ANPC1SMN1; SMN2HTT
SCHEMBL7180256 0.76 HRH3 (0.37) HTTMAPT
SCHEMBL7183056 0.75 GRM2 (0.38) L3MBTL1TP53RAB9ANPC1SMN1; SMN2

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 TSHR 1867/4885L3MBTL1 3939/4885TP53 1340/4885

“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.