SCHEMBL7188323

SCHEMBL7188323

Cc1cccc(CSCc2ccc(OP(=O)(O)C(F)F)c(Br)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
LMNA P02545 5/20 0.40
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
NPY1R P25929 1/20 0.36
HPGD P15428 1/20 0.36
THRA P10827 1/20 0.35
THRB P10828 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
DAO P14920 1/20 0.34
CCR5 P51681 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CA2 P00918 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
SCHEMBL7595556 0.90 TP53 (0.37) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7595446 0.89 KMT2A (0.38) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7189868 0.88 ALDH1A1 (0.41) ALDH1A1LMNAMEN1KMT2ASMN1; SMN2
SCHEMBL7599756 0.87 PTPN1 (0.39) ALDH1A1LMNASMN1; SMN2MAPTCA2
SCHEMBL7593531 0.87 CYP1A2 (0.46) ALDH1A1LMNAMAPTHPGDTAAR1
SCHEMBL7194557 0.87 TP53 (0.42) ALDH1A1LMNAKMT2ASMN1; SMN2MAPT
SCHEMBL7194686 0.87 PTPN1 (0.33) ALDH1A1TP53
SCHEMBL7598916 0.86 PTPN1 (0.33) ALDH1A1LMNAMAPTHPGDABL1
SCHEMBL7189759 0.85 ALDH1A1 (0.40) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL7188041 0.85 ACP3 (0.44) THRATHRBDAO

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 ALDH1A1 312/4885LMNA 4857/4885MEN1 4448/4885

“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.