SCHEMBL7597528

SCHEMBL7597528

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

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.45
NPC1 O15118 2/20 0.45
PTPN1 P18031 8/20 0.45
PTPN2 P17706 1/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
ALDH1A1 P00352 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL7598551 0.97 RAB9A (0.44) RAB9ANPC1PTPN1PTPN2MEN1
SCHEMBL7189870 0.88 PTPN1 (0.47) RAB9ANPC1PTPN1PTPN2MEN1
SCHEMBL7186729 0.83 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL7592734 0.82 PTPN1 (0.57) PTPN1PTPN2
SCHEMBL7598948 0.81 PTPN1 (0.44) RAB9ANPC1PTPN1PTPN2L3MBTL1
SCHEMBL7192771 0.81 PTPN1 (0.43) PTPN1PTPN2ALDH1A1
SCHEMBL7194608 0.79 PTPN1 (0.44) PTPN1PTPN2
SCHEMBL7180251 0.79 PTPN1 (0.45) PTPN1PTPN2MAPT
SCHEMBL7180230 0.78 RAB9A (0.41) RAB9ANPC1MEN1KMT2ASMN1; SMN2
SCHEMBL7592257 0.77 PTPN1 (0.52) PTPN1PTPN2

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 3 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
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

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 2966/4885PTPN1 13/4885

“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.