SCHEMBL3402389

SCHEMBL3402389

COC(=O)CNCc1cc(F)c(F)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA14 Q9ULX7 1/20 0.38
CYP17A1 P05093 1/20 0.36
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
AAK1 Q2M2I8 2/20 0.35
KCNQ4 P56696 3/20 0.35
KCNQ5 Q9NR82 3/20 0.35
PDCD1 Q15116 2/20 0.35
CD274 Q9NZQ7 2/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
GAA P10253 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
RORC P51449 3/20 0.33
CCR2 P41597 2/20 0.33
BRAF P15056 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
SCHEMBL3401775 0.80 CYP17A1 (0.41) CYP17A1MTNR1AMTNR1BAAK1KCNQ4
SCHEMBL30937572 0.80 RORC (0.37) CA12CA2CA14CYP17A1AAK1
SCHEMBL3401610 0.79 CYP17A1 (0.40) CYP17A1MTNR1AMTNR1BAAK1KCNQ4
SCHEMBL25663608 0.76 DPP4 (0.40) MTNR1AMTNR1BPDCD1CD274GAA
SCHEMBL14725520 0.75 CYP17A1 (0.48) CA12CA2CYP17A1AAK1KCNQ4
SCHEMBL1673365 0.74 MAPK14 (0.43) CA12CA2CYP17A1GAA
SCHEMBL30937595 0.74 MTNR1A (0.39) MTNR1AMTNR1BDPP8DPP9RORC
SCHEMBL29393326 0.73 AAK1 (0.47) CYP17A1AAK1KCNQ4KCNQ5RXFP1
SCHEMBL29071984 0.73 AAK1 (0.47) CYP17A1AAK1KCNQ4KCNQ5RXFP1
SCHEMBL29952152 0.73 CYP17A1 (0.42) CA12CYP17A1AAK1KCNQ4KCNQ5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 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 (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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 CA12 1106/4885CA2 760/4885CA14 385/4885

“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.