SCHEMBL16496502

SCHEMBL16496502

Cc1noc(-c2ccc(O)cc2)c1[C@@H](Cc1ccccc1Cl)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
ALOX5AP P20292 3/20 0.40
P2RX7 Q99572 1/20 0.40
LPAR1 Q92633 3/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR2 Q9HBW0 2/20 0.39
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HCAR2 Q8TDS4 3/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
DUSP3 P51452 1/20 0.35
SCN5A Q14524 1/20 0.35
SCN9A Q15858 1/20 0.35
SLC26A6 Q9BXS9 1/20 0.35

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
SCHEMBL2839111 0.91 LPAR1 (0.41) ALOX5ALOX5APP2RX7LPAR1LPAR3
SCHEMBL2762347 0.91 LPAR1 (0.41) ALOX5ALOX5APP2RX7LPAR1LPAR3
SCHEMBL16060874 0.90 LPAR1 (0.42) ALOX5ALOX5APP2RX7LPAR1LPAR3
SCHEMBL16496719 0.88 TSHR (0.38) ALOX5ALOX5APP2RX7LPAR1LPAR3
SCHEMBL2837769 0.86 P2RX7 (0.37) ALOX5ALOX5APP2RX7LPAR1LPAR3
SCHEMBL2761549 0.86 TSHR (0.41) LPAR1LPAR3LPAR2TSHRKDM4E
SCHEMBL2834340 0.86 LPAR1 (0.41) ALOX5ALOX5APP2RX7LPAR1LPAR3
SCHEMBL2836944 0.84 KMT2A (0.38) P2RX7LPAR1LPAR3LPAR2TSHR
SCHEMBL2838361 0.80 P2RX7 (0.37) P2RX7LPAR1LPAR3LPAR2SMN1; SMN2
SCHEMBL2762863 0.80 ALDH1A1 (0.40) ALOX5ALOX5APP2RX7LPAR1LPAR3

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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. 2011-12-08 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-20110301142-A1 ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 ALOX5 206/4885ALOX5AP 154/4885P2RX7 221/4885

“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.