SCHEMBL7188715

SCHEMBL7188715

CC(=O)SC(C)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
HPGD P15428 3/20 0.56
MEN1 O00255 2/20 0.56
TSHR P16473 2/20 0.51
SMN1; SMN2 Q16637 3/20 0.49
HTT P42858 1/20 0.49
ALDH1A1 P00352 3/20 0.48
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
CNR2 P34972 1/20 0.44
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
HSP90AA1 P07900 1/20 0.43
POLB P06746 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL8467310 0.90 KMT2A (0.54) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL7194545 0.81 HPGD (0.59) KMT2AHPGDMEN1TSHRNPC1
SCHEMBL7307992 0.81 ACE (0.47) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL7307985 0.81 ACE (0.47) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL8171506 0.80 TSHR (0.46) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL8171507 0.80 TSHR (0.46) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL108639 0.79 ALDH1A1 (0.53) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL7037470 0.78 MMP12 (0.47) KMT2AHPGDMEN1TSHRSMN1; SMN2
Acetic Acid SCHEMBL28205789 0.77 TSHR (0.58) KMT2AHPGDMEN1TSHRSMN1; SMN2
SCHEMBL13970215 0.77 ALDH1A1 (0.43) KMT2AHPGDMEN1TSHRSMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 KMT2A 3568/4885HPGD 3572/4885MEN1 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.