SCHEMBL2024924

SCHEMBL2024924

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CNR1 P21554 3/20 0.45
CNR2 P34972 3/20 0.45
RBP4 P02753 5/20 0.44
APLNR P35414 1/20 0.43
TTR P02766 1/20 0.42
HCAR1 Q9BXC0 1/20 0.42
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC5A1 P13866 1/20 0.39
SLC5A2 P31639 1/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
P2RX7 Q99572 1/20 0.39
APP P05067 1/20 0.39
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL2027673 0.86 RBP4 (0.47) ALDH1A1L3MBTL1CNR1CNR2RBP4
SCHEMBL2034427 0.78 ALDH1A1 (0.45) ALDH1A1L3MBTL1RBP4APLNRHCAR1
SCHEMBL2031113 0.78 NR3C2 (0.47) ALDH1A1CNR1CNR2HTR2AHTR2C
SCHEMBL2031644 0.73 ALDH1A1 (0.45) ALDH1A1L3MBTL1RBP4APLNRHCAR1
SCHEMBL2025066 0.72 POLB (0.49) ALDH1A1L3MBTL1CNR1CNR2RBP4
SCHEMBL4727274 0.70 ALDH1A1 (0.45) ALDH1A1L3MBTL1RBP4APLNRTTR
SCHEMBL1380808 0.70 NOTUM (0.69) ALDH1A1
SCHEMBL4729990 0.69 ALDH1A1 (0.44) ALDH1A1L3MBTL1CNR1CNR2RBP4
Hydrochloric Acid SCHEMBL2025123 0.69 NOTUM (0.68) ALDH1A1
SCHEMBL4559786 0.68 L3MBTL1 (0.46) ALDH1A1L3MBTL1APLNRHCAR1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP claimed
WO-2007024744-A2 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS, INC. (US) 2007-03-01 WO claimed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO claimed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
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
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-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 ALDH1A1 1665/4885L3MBTL1 4870/4885CNR1 44/4885

“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.