SCHEMBL90025

SCHEMBL90025

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

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
UTS2R Q9UKP6 4/20 0.38
POLB P06746 4/20 0.37
TP53 P04637 2/20 0.37
REN P00797 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ALDH1A1 P00352 1/20 0.37
THRB P10828 2/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL90021 0.94 TSHR (0.40) TSHRUTS2RPOLBTP53REN
SCHEMBL88888 0.90 TSHR (0.40) TSHRUTS2RPOLBTP53REN
SCHEMBL90405 0.90 TSHR (0.40) TSHRUTS2RPOLBTP53REN
SCHEMBL90622 0.89 TSHR (0.38) TSHRUTS2RPOLBTP53REN
SCHEMBL89199 0.88 SMN1; SMN2 (0.39) TSHRUTS2RPOLBTP53REN
SCHEMBL90026 0.88 THRB (0.39) TSHRUTS2RPOLBTP53REN
SCHEMBL88941 0.87 REN (0.42) TSHRUTS2RPOLBTP53REN
SCHEMBL89709 0.85 REN (0.41) TSHRUTS2RPOLBTP53REN
SCHEMBL8235503 0.85 TSHR (0.46) TSHRPOLBTP53RENKDM4E
SCHEMBL1911383 0.85 TSHR (0.46) TSHRPOLBTP53RENKDM4E

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 TSHR 1095/4885UTS2R 466/4885POLB 589/4885

“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.