SCHEMBL16697498

SCHEMBL16697498

Cc1nnn(-c2ccc(Br)cc2)c1[C@@H](Cc1ccccc1)NC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 3/20 0.42
SLC5A2 P31639 3/20 0.42
FPR2 P25090 4/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
CNR2 P34972 1/20 0.37
HSP90AA1 P07900 1/20 0.37
HTT P42858 1/20 0.36
CYP19A1 P11511 1/20 0.36
MME P08473 1/20 0.36

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
SCHEMBL16697264 0.89 SLC5A1 (0.41) SLC5A1SLC5A2FPR2NPC1RAB9A
SCHEMBL16697947 0.88 CYP26A1 (0.42) KMT2AMEN1CYP19A1
SCHEMBL16697479 0.86 CCR1 (0.47) KMT2AMEN1HSP90AA1
SCHEMBL16697439 0.86 POLB (0.41) SLC5A1SLC5A2NPC1RAB9AKMT2A
SCHEMBL16697897 0.85 HTT (0.41) SLC5A1SLC5A2FPR2NPC1RAB9A
SCHEMBL16697685 0.83 LPAR1 (0.39) SLC5A1SLC5A2NPC1RAB9AKMT2A
SCHEMBL16698165 0.83 PIN1 (0.42) SLC5A1SLC5A2
SCHEMBL16697375 0.81 KMT2A (0.37) FPR2KMT2AMEN1
SCHEMBL16697230 0.80 FPR2 (0.40) FPR2NPC1RAB9AKMT2AMEN1
SCHEMBL16699810 0.77 LPAR1 (0.47) FPR2NPC1RAB9AKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS HOFFMANN-LA ROCHE INC. 2015-05-14 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-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 SLC5A1 2682/4885SLC5A2 3005/4885FPR2 117/4885

“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.