SCHEMBL14710217

SCHEMBL14710217

Cc1nnn(-c2ccc(Br)cc2)c1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A1 P13866 1/20 0.46
SLC5A2 P31639 1/20 0.46
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
CA4 P22748 3/20 0.44
CA9 Q16790 3/20 0.44
HTT P42858 1/20 0.44
PTGS2 P35354 3/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TSHR P16473 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
MEN1 O00255 2/20 0.38
POLB P06746 2/20 0.38
KMT2A Q03164 2/20 0.38
PARP1 P09874 1/20 0.37
SMPD1 P17405 1/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 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
SCHEMBL22897264 0.85 HTT (0.60) SLC5A1SLC5A2HTTPTGS2NPC1
SCHEMBL13754468 0.84 PTGS2 (0.55) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL16697431 0.83 SLC5A1 (0.46) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL16697717 0.82 RPA1 (0.44) HTTMEN1POLBKMT2ALMNA
SCHEMBL15897901 0.81 SMN1; SMN2 (0.50) CA1CA2HTTNPC1RAB9A
SCHEMBL14710979 0.81 SLC5A1 (0.59) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL16697113 0.80 GPBAR1 (0.48) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL31297182 0.80 HTT (0.41) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL16697967 0.80 SLC5A1 (0.44) SLC5A1SLC5A2CA1CA2CA4
SCHEMBL15882509 0.78 LPAR1 (0.46) 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 6 patents. 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
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-8975235-B2 Lysophosphatidic acid receptor antagonists INTERMUNE, INC. (US) 2015-03-10 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
US-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-03-21 US disclosed
WO-2013025733-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS INTERMUNE, INC. (US) 2013-02-21 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 (2 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-20130072449-A1 LYSOPHOSPHATIDIC ACID RECEPTOR ANTAGONISTS LPAR1, LPAR2, LPAR5 SLC5A1 1747/4885SLC5A2 1833/4885CA1 1975/4885
US-20150133512-A1 N-ARYLTRIAZOLE COMPOUNDS AS LPAR ANTAGONISTS LPAR1, LPAR2, LPAR3 SLC5A1 2682/4885SLC5A2 3005/4885CA1 4864/4885

“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.