SCHEMBL119042

SCHEMBL119042

C=C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ CASP3 P42574 4/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ MDM4 O15151 3/20 0.51
▸ TP53 P04637 3/20 0.51
▸ EPHX2 P34913 1/20 0.48
▸ MDM2 Q00987 2/20 0.46
▸ FABP7 O15540 1/20 0.44
▸ FABP5 Q01469 1/20 0.44

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
SCHEMBL119273 1.00 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL2623566 0.89 CASP3 (0.53) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119534 0.85 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119338 0.85 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL7604717 0.85 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL21416122 0.84 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29402082 0.84 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL21403417 0.84 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL21403415 0.84 CASP3 (0.54) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL13227980 0.84 CASP3 (0.51) CASP3KMT2AMDM4TP53EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ROCHE DIAGNOSTICS OPERATIONS, INC. 2023-10-19 — — US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 — — US disclosed
US-8895231-B2 Patterning process and resist composition SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-11-25 — — US disclosed
WO-2013123267-A1 TRIAZOLE-CROSSLINKED AND THIOETHER-CROSSLINKED PEPTIDOMIMETIC MACROCYCLES AILERON THERAPEUTICS, INC. (US) 2013-08-22 — — WO disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — US disclosed
US-20120058428-A1 PATTERNING PROCESS AND RESIST COMPOSITION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2012-03-08 — — US 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-20230333095-A1 METHOD FOR DETECTING AN ANALYTE OF INTEREST IN A SAMPLE ENTPD5, KLK3, GUSB CASP3 3821/4885KMT2A 2495/4885MDM4 1104/4885

“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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