SCHEMBL7188434

SCHEMBL7188434

O=P(O)(Oc1ccc(CCCSc2ncccn2)cc1Br)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.41
MAPT P10636 6/20 0.41
KMT2A Q03164 5/20 0.41
NPC1 O15118 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA1 Q13131 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
PRKAB1 Q9Y478 1/20 0.41
POLB P06746 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
HRH3 Q9Y5N1 1/20 0.34
HTT P42858 3/20 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
SCHEMBL7194590 0.97 RAB9A (0.40) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7188757 0.90 GRM2 (0.37) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7188078 0.87 MAPT (0.40) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7183056 0.87 GRM2 (0.38) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7202543 0.84 FDPS (0.41) HRH3ALDH1A1
SCHEMBL7180256 0.83 HRH3 (0.37) MAPTHRH3HTT
SCHEMBL7197766 0.83 ALDH1A1 (0.42) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7205285 0.82 HRH3 (0.41) RAB9AMAPTKMT2ANPC1SMN1; SMN2
SCHEMBL7202619 0.81 FDPS (0.41) HRH3ALDH1A1
SCHEMBL7194611 0.81 HRH3 (0.34) HRH3

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 RAB9A 911/4885MAPT 4057/4885KMT2A 3568/4885

“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.