SCHEMBL2027673

SCHEMBL2027673

CCc1nc(C(=O)OC)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 3/20 0.47
CNR1 P21554 3/20 0.43
CNR2 P34972 3/20 0.43
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
SLC5A1 P13866 1/20 0.41
SLC5A2 P31639 1/20 0.41
APLNR P35414 1/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
HCAR1 Q9BXC0 1/20 0.40
TP53 P04637 2/20 0.39
MAPT P10636 2/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MYC P01106 1/20 0.37

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
SCHEMBL2024924 0.86 ALDH1A1 (0.47) RBP4CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL2031113 0.79 NR3C2 (0.47) CNR1CNR2ALDH1A1HTR2AHTR2C
SCHEMBL2034427 0.75 ALDH1A1 (0.45) RBP4ALDH1A1L3MBTL1APLNRHCAR1
SCHEMBL3807083 0.72 RBP4 (0.38) RBP4CNR1CNR2ALDH1A1L3MBTL1
SCHEMBL21606472 0.71 RORC (0.66)
SCHEMBL21606678 0.71 RORC (0.42) ALDH1A1L3MBTL1
SCHEMBL2031644 0.70 ALDH1A1 (0.45) RBP4ALDH1A1L3MBTL1APLNRHCAR1
SCHEMBL9924030 0.68 KDM4E (0.45) RBP4ALDH1A1L3MBTL1TP53MAPT
SCHEMBL4559786 0.68 L3MBTL1 (0.46) ALDH1A1L3MBTL1APLNRHCAR1MAPT
SCHEMBL27692633 0.66 ALDH1A1 (0.47) ALDH1A1APLNRMAPTKDM4E

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-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 US disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 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-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 RBP4 1005/4885CNR1 44/4885CNR2 57/4885

“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.