SCHEMBL7184264

SCHEMBL7184264

COP(=O)(OC)c1cc(-c2ccc(CBr)cc2)ccc1C=Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A1 P04798 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ CYP1B1 Q16678 1/20 0.37
▸ UTRN P46939 2/20 0.36
▸ GGPS1 O95749 2/20 0.36
▸ PTPN1 P18031 1/20 0.35
▸ NFE2L2 Q16236 2/20 0.35
▸ TRPA1 O75762 1/20 0.35
▸ ALK Q9UM73 2/20 0.34
▸ TUBB4A P04350 1/20 0.33
▸ TUBB P07437 1/20 0.33
▸ TUBA3C P0DPH7 1/20 0.33
▸ TUBA1B P68363 1/20 0.33
▸ TUBA4A P68366 1/20 0.33
▸ TUBB4B P68371 1/20 0.33
▸ TUBB3 Q13509 1/20 0.33
▸ TUBB2A Q13885 1/20 0.33
▸ TUBB8 Q3ZCM7 1/20 0.33
▸ TUBA3E Q6PEY2 1/20 0.33
▸ TUBA1A Q71U36 1/20 0.33

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
SCHEMBL7184261 1.00 CYP1A1 (0.37) CYP1A1CYP1A2CYP1B1UTRNGGPS1
SCHEMBL7180290 0.85 SMN1; SMN2 (0.41) CYP1A1CYP1A2CYP1B1UTRNPTPN1
SCHEMBL7180287 0.85 SMN1; SMN2 (0.41) CYP1A1CYP1A2CYP1B1UTRNPTPN1
SCHEMBL7184273 0.83 PLA2G2D (0.40) CYP1A1CYP1A2CYP1B1UTRNGGPS1
SCHEMBL7596785 0.75 PTPN1 (0.43) CYP1A2UTRNPTPN1MEN1KMT2A
SCHEMBL7596781 0.75 PTPN1 (0.43) CYP1A2UTRNPTPN1MEN1KMT2A
SCHEMBL7527444 0.75 HPGD (0.39) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7595331 0.73 ALDH1A1 (0.35) TRPA1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7181981 0.70 CFD (0.44) PTPN1MEN1KMT2AKDM4EALDH1A1
SCHEMBL7187999 0.70 PTPN11 (0.44) CYP1A2PTPN1MEN1KMT2AKDM4E

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 CYP1A1 1494/4885CYP1A2 2543/4885CYP1B1 280/4885

“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.

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