SCHEMBL7202347

SCHEMBL7202347

Cc1nnc(SCCCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)s1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.40
RAB9A P51151 5/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 4/20 0.38
ALDH1A1 P00352 5/20 0.36
LMNA P02545 2/20 0.36
HPGD P15428 1/20 0.36
HSD11B1 P28845 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GRIN2B Q13224 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34

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
SCHEMBL7193791 0.97 NPC1 (0.39) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7197412 0.88 RAB9A (0.53) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7188434 0.79 RAB9A (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7197766 0.79 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7205805 0.79 TDP1 (0.44) RAB9ASMN1; SMN2MAPTALDH1A1LMNA
SCHEMBL7202339 0.79 PTPN1 (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7188757 0.78 GRM2 (0.37) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7188714 0.78 TSHR (0.41) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL7180256 0.77 HRH3 (0.37) MAPT
SCHEMBL7194611 0.77 HRH3 (0.34)

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 NPC1 2966/4885RAB9A 911/4885SMN1; 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.