SCHEMBL90026

SCHEMBL90026

COCCCN1C(=O)COc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)N[C@H](C)c4ccccc4)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.39
TP53 P04637 4/20 0.39
ALOX12 P18054 1/20 0.37
UTS2R Q9UKP6 4/20 0.36
TSHR P16473 1/20 0.36
REN P00797 3/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
POLB P06746 2/20 0.35
CHRM1 P11229 3/20 0.34

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
SCHEMBL89163 0.89 REN (0.46) TP53RENMAPTLMNAGAA
SCHEMBL89658 0.89 REN (0.46) TP53RENMAPTLMNAGAA
SCHEMBL88941 0.89 REN (0.42) THRBTP53UTS2RTSHRREN
SCHEMBL90021 0.88 TSHR (0.40) THRBTP53UTS2RTSHRREN
SCHEMBL88888 0.88 TSHR (0.40) THRBTP53UTS2RTSHRREN
SCHEMBL90405 0.88 TSHR (0.40) THRBTP53UTS2RTSHRREN
SCHEMBL90025 0.88 TSHR (0.41) THRBTP53UTS2RTSHRREN
SCHEMBL89199 0.88 SMN1; SMN2 (0.39) TP53UTS2RTSHRRENPOLB
SCHEMBL89709 0.87 REN (0.41) TP53UTS2RTSHRRENPOLB
SCHEMBL90623 0.87 REN (0.47) THRBTP53ALOX12TSHRREN

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
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-8129411-B2 Organic compounds NOVARTIS AG (CH) 2012-03-06 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 US disclosed
US-20090192148-A1 Organic Compounds NOVARTIS AG (CH) 2009-07-30 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-20090192148-A1 Organic Compounds REN, ACE, AGTR1 THRB 1041/4885TP53 3771/4885ALOX12 1476/4885

“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.