SCHEMBL7183056

SCHEMBL7183056

O=P(O)(Oc1ccc(CCCCSc2ccccn2)cc1Br)C(F)F

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.38
ALDH1A1 P00352 6/20 0.36
NPC1 O15118 6/20 0.35
RAB9A P51151 6/20 0.35
SMN1; SMN2 Q16637 5/20 0.35
MAPT P10636 3/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.33
HSD17B10 Q99714 1/20 0.33
TP53 P04637 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
PKM P14618 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 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
SCHEMBL7188757 0.97 GRM2 (0.37) GRM2ALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL7194590 0.90 RAB9A (0.40) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7188748 0.88 POLB (0.44) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7188434 0.87 RAB9A (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7188057 0.85 PRNP (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7202619 0.83 FDPS (0.41) ALDH1A1
SCHEMBL7191439 0.82 HRH3 (0.36) MAPT
SCHEMBL7202813 0.82 ALDH1A1 (0.41) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7180342 0.82 PRNP (0.39) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT
SCHEMBL7200258 0.81 MAPT (0.36) ALDH1A1NPC1RAB9ASMN1; SMN2MAPT

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 GRM2 1762/4885ALDH1A1 312/4885NPC1 2966/4885

“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.