SCHEMBL7189868

SCHEMBL7189868

O=P(O)(Oc1ccc(CSCc2cccc(F)c2)cc1Br)C(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 4/20 0.40
RAB9A P51151 2/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 4/20 0.37
LMNA P02545 2/20 0.37
TAAR1 Q96RJ0 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
DAO P14920 2/20 0.35
LRRK2 Q5S007 1/20 0.35
NPC1 O15118 1/20 0.34
TSHR P16473 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
SCHEMBL7596322 0.91 PTPN1 (0.35) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7595446 0.90 KMT2A (0.38) ALDH1A1MEN1KMT2ASMN1; SMN2MAPT
SCHEMBL7193736 0.90 PTPN1 (0.38) ALDH1A1KMT2AMAPTPOLBTP53
SCHEMBL7599756 0.88 PTPN1 (0.39) ALDH1A1SMN1; SMN2MAPTLMNACYP2C19
SCHEMBL7194557 0.88 TP53 (0.42) ALDH1A1KMT2ASMN1; SMN2HPGDMAPT
SCHEMBL7188323 0.88 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ASMN1; SMN2HPGD
SCHEMBL7194686 0.88 PTPN1 (0.33) ALDH1A1POLBTP53
SCHEMBL7188319 0.88 PTPN1 (0.33) ALDH1A1MEN1KMT2AMAPTPOLB
SCHEMBL7593531 0.86 CYP1A2 (0.46) ALDH1A1HPGDMAPTLMNATAAR1
SCHEMBL7187521 0.86 PKM (0.33) ALDH1A1MEN1KMT2ASMN1; 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 ALDH1A1 312/4885MEN1 4448/4885KMT2A 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.