SCHEMBL89212

SCHEMBL89212

COCCN1C(=O)COc2ccc(N(C(=O)[C@@H]3C[C@H](C(=O)NC(CO)CC(C)C)CN(C(=O)OC(C)(C)C)C3)C3CC3)cc21

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.38
UTS2R Q9UKP6 4/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 2/20 0.33
KCNH2 Q12809 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL88941 0.96 REN (0.42) RENUTS2RTSHRKDM4EKCNH2
SCHEMBL89709 0.96 REN (0.41) RENUTS2RTSHRKDM4EKCNH2
SCHEMBL89667 0.86 REN (0.50) RENTSHRKDM4EKCNH2
SCHEMBL90405 0.86 TSHR (0.40) RENUTS2RTSHRKDM4EMEN1
SCHEMBL88888 0.86 TSHR (0.40) RENUTS2RTSHRKDM4EMEN1
SCHEMBL1911354 0.86 REN (0.53) RENKCNH2MEN1ALDH1A1KMT2A
SCHEMBL90421 0.85 REN (0.41) RENKCNH2
SCHEMBL90026 0.85 THRB (0.39) RENUTS2RTSHR
SCHEMBL90025 0.83 TSHR (0.41) RENUTS2RTSHRKDM4EMEN1
SCHEMBL90326 0.83 REN (0.55) RENTSHRKCNH2

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 REN 1/4885UTS2R 466/4885TSHR 1095/4885

“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.