SCHEMBL3201847

SCHEMBL3201847

CC(C)C(CC(=O)O)NC(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 4/20 0.61
KMT2A Q03164 2/20 0.52
MDM4 O15151 2/20 0.47
TP53 P04637 2/20 0.47
EPHX2 P34913 1/20 0.47
MDM2 Q00987 2/20 0.45

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
SCHEMBL31045969 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119533 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL29401028 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119762 1.00 CASP3 (0.61) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL377860 0.91 CASP3 (0.60) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL799714 0.89 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL119195 0.89 CASP3 (0.58) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL6795994 0.88 CASP3 (0.57) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL25262884 0.88 CASP3 (0.59) CASP3KMT2AMDM4TP53EPHX2
SCHEMBL14024234 0.88 CASP3 (0.59) 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
EP-3515880-B1 METHODS AND COMPOSITIONS FOR SYNTHESIS OF ENCODED LIBRARIES HITGEN INC (CN) 2023-05-10 EP disclosed
US-20210198278-A1 SECO MACROLIDE COMPOUNDS SELVITA D.O.O. (HR) 2021-07-01 US disclosed
US-10919910-B2 Seco macrolide compounds FIDELTA D.O.O. (HR) 2021-02-16 US disclosed
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES NOVARTIS AG (CH) 2010-02-04 US disclosed
EP-2081888-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS Novartis AG (CH) 2009-07-29 EP disclosed
WO-2008028937-A1 N-BIARYL (HETERO) ARYLSULPHONAMIDE DERIVATIVES USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY LYMPHOCYTES INTERACTIONS NOVARTIS AG (CH) 2008-03-13 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 (3 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-20210198278-A1 SECO MACROLIDE COMPOUNDS SEC61B, SEC16A, SEC61A1 CASP3 1238/4885KMT2A 4255/4885MDM4 3271/4885
US-20100029609-A1 BIARYL SULFONAMIDE DERIVATIVES UGT2B7, CYP3A7, STS CASP3 104/4885KMT2A 2404/4885MDM4 4541/4885
US-10919910-B2 Seco macrolide compounds SEC61B, SEC16A, SEC61A1 CASP3 1238/4885KMT2A 4255/4885MDM4 3271/4885

“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.