SCHEMBL16697113

SCHEMBL16697113

CCc1nnn(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 2/20 0.48
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
CA4 P22748 6/20 0.42
CA9 Q16790 6/20 0.42
PPARA Q07869 1/20 0.40
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HTT P42858 1/20 0.38
PTGS2 P35354 1/20 0.38
PKM P14618 1/20 0.37
PPARG P37231 1/20 0.36
NOTUM Q6P988 1/20 0.36
TP53 P04637 1/20 0.36
ALOX12 P18054 1/20 0.36
ALDH1A1 P00352 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
SCHEMBL4770852 0.86 GPBAR1 (0.61) GPBAR1SLC5A1SLC5A2PPARANPC1
SCHEMBL16697029 0.83 SLC5A1 (0.57) GPBAR1SLC5A1SLC5A2CA1CA2
SCHEMBL14710217 0.80 SLC5A1 (0.46) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL13543685 0.75 GPBAR1 (0.56) GPBAR1SLC5A1SLC5A2NPC1RAB9A
SCHEMBL14710979 0.71 SLC5A1 (0.59) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL16697767 0.71 HTT (0.73) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL16697264 0.70 SLC5A1 (0.41) GPBAR1SLC5A1SLC5A2NPC1RAB9A
SCHEMBL16697567 0.69 LPAR1 (0.71)
SCHEMBL15882509 0.69 LPAR1 (0.46) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL14711070 0.69 SLC5A1 (0.56) SLC5A1SLC5A2CA1CA2CA4

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 GPBAR1 163/4885SLC5A1 2682/4885SLC5A2 3005/4885

“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.