SCHEMBL1686535

SCHEMBL1686535

CCOC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)on1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACR P10323 3/20 0.56
MAPT P10636 7/20 0.50
TP53 P04637 4/20 0.50
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.48
THRB P10828 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MCL1 Q07820 1/20 0.47

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
SCHEMBL766707 0.88 ACR (0.55) ACRMAPTTP53POLBLMNA
SCHEMBL29197994 0.86 ACR (0.60) ACRMAPTTP53POLBLMNA
SCHEMBL1686476 0.83 MAPT (0.72) ACRMAPTTP53POLBLMNA
SCHEMBL27237216 0.83 ACR (0.58) ACRMAPTTP53POLBLMNA
SCHEMBL1686391 0.83 TP53 (0.62) ACRMAPTTP53POLBLMNA
SCHEMBL1686347 0.83 POLB (0.66) ACRMAPTTP53POLBTHRB
SCHEMBL768649 0.83 ACR (0.63) ACRMAPTTP53LMNAL3MBTL1
SCHEMBL13361728 0.82 ACR (0.57) ACRMAPTTP53POLBLMNA
SCHEMBL15468398 0.82 MAPT (0.68) ACRMAPTTP53THRBALDH1A1
SCHEMBL21523600 0.82 ACR (0.56) ACRMAPTTP53POLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8211927-B2 5-phenyl-isoxazole-3-carboxamide derivatives as TRPV1 modulators MSD, Oss B.V. (NL) 2012-07-03 US disclosed
EP-2185530-B1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS ORGANON NV (NL) 2011-09-14 EP disclosed
US-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon and Pharmacopeia, LLC (NL) 2011-03-17 US disclosed
EP-2185530-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. Organon (NL) 2010-05-19 EP disclosed
WO-2009016241-A1 5-PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS N.V. ORGANON (NL) 2009-02-05 WO disclosed
US-4336264-A 1-Benzoyl-3-(isoxazolyl or benzisoxazolyl)-ureas and insecticidal use thereof ELI LILLY AND COMPANY (US) 1982-06-22 US disclosed
EP-0042732-A1 1-benzoyl-3-substituted ureas and thioureas, their preparation, insecticidal formulations containing them and their use as insecticides ELI LILLY AND COMPANY (US) 1981-12-30 EP 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-20110065764-A1 5- PHENYL-ISOXAZOLE-3-CARBOXAMIDE DERIVATIVES AS TRPV1 MODULATORS TRPV1, TRPV5, TRPV3 ACR 3371/4885MAPT 1919/4885TP53 4639/4885

“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.