SCHEMBL7187490

SCHEMBL7187490

CCOC(=O)c1cccc(C#CCO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.54
CYP4F2 P78329 1/20 0.52
CYP4A11 Q02928 1/20 0.52
NPC1 O15118 3/20 0.50
RAB9A P51151 3/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50
CYP2C19 P33261 1/20 0.50
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46

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
SCHEMBL7182966 0.87 ACACB (0.53) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL10411917 0.86 ACACB (0.57) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL4319225 0.85 ACACB (0.62) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL5663849 0.85 CYP4F2 (0.53) CYP4F2CYP4A11NPC1RAB9ACYP1A2
SCHEMBL1505304 0.83 NPC1 (0.53) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL97217 0.81 SMN1; SMN2 (0.55) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL8808335 0.81 CA1 (0.56) NPC1RAB9ASMN1; SMN2CYP1A2CYP2C9
SCHEMBL2763765 0.81 TRPM8 (0.49) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL3942786 0.81 ACACB (0.53) ACACBCYP4F2CYP4A11NPC1RAB9A
SCHEMBL936599 0.81 ACACB (0.53) ACACBCYP4F2CYP4A11NPC1RAB9A

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 ACACB 826/4885CYP4F2 882/4885CYP4A11 1219/4885

“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.