SCHEMBL7180230

SCHEMBL7180230

CC(=O)Nc1ccc(SCCCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.41
NPC1 O15118 3/20 0.41
MAPT P10636 5/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
TP53 P04637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
SAE1 Q9UBE0 1/20 0.34
UBA2 Q9UBT2 1/20 0.34
POLB P06746 1/20 0.34
UBE2N P61088 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
SCHEMBL7193744 0.97 RAB9A (0.40) RAB9ANPC1MAPTALDH1A1CYP1A2
SCHEMBL7189877 0.89 MEN1 (0.41) RAB9AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL7186736 0.84 HDAC3 (0.36) RAB9ANPC1MAPTALDH1A1CYP1A2
SCHEMBL7592741 0.82 MAPT (0.40) RAB9AMAPTALDH1A1CYP1A2CYP2C9
SCHEMBL7200258 0.82 MAPT (0.36) RAB9ANPC1MAPTALDH1A1KMT2A
SCHEMBL7192779 0.82 HDAC3 (0.37) MAPTALDH1A1MAPK1TDP1LMNA
SCHEMBL7194611 0.81 HRH3 (0.34) S1PR1S1PR3
SCHEMBL7180256 0.81 HRH3 (0.37) MAPTS1PR1S1PR3
SCHEMBL7205285 0.79 HRH3 (0.41) RAB9ANPC1MAPTALDH1A1CYP1A2
SCHEMBL7597528 0.78 RAB9A (0.45) RAB9ANPC1MAPTALDH1A1GAA

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 911/4885NPC1 2966/4885MAPT 4057/4885

“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.