SCHEMBL13464536

SCHEMBL13464536

CCc1ncc(C(=O)NC2(C(=O)O)CCC(C)(C)CC2)cc1OCCc1cccc(Cl)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LPAR1 Q92633 6/20 0.61
▸ MAOB P27338 1/20 0.40
▸ HIF1A Q16665 1/20 0.38
▸ GPR132 Q9UNW8 2/20 0.38
▸ F10 P00742 2/20 0.38
▸ HDAC3 O15379 2/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC2 Q92769 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ SPHK2 Q9NRA0 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35
▸ SCD O00767 1/20 0.35
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL1808969 0.90 LPAR1 (0.59) LPAR1MAOBHIF1AGPR132F10
SCHEMBL1808968 0.90 LPAR1 (0.59) LPAR1MAOBHIF1AGPR132F10
SCHEMBL1808971 0.90 LPAR1 (0.59) LPAR1MAOBHIF1AGPR132F10
SCHEMBL1810771 0.89 LPAR1 (0.58) LPAR1MAOBHIF1AGPR132F10
SCHEMBL1810772 0.89 LPAR1 (0.58) LPAR1MAOBHIF1AGPR132F10
SCHEMBL1810770 0.89 LPAR1 (0.58) LPAR1MAOBHIF1AGPR132F10
SCHEMBL13464509 0.88 LPAR1 (0.65) LPAR1MAOBHIF1AGPR132F10
SCHEMBL13464505 0.83 LPAR1 (0.75) LPAR1GPR132F10HDAC1HDAC2
SCHEMBL13464580 0.83 LPAR1 (0.72) LPAR1HIF1AGPR132F10SCD
SCHEMBL1811011 0.80 LPAR1 (0.77) LPAR1MAOBGPR132F10SCD

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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS SANOFI (FR) 2012-10-18 — — 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-20120264790-A1 ACYLAMINO-SUBSTITUTED CYCLIC CARBOXYLIC ACID DERIVATIVES AND THEIR USE AS PHARMACEUTICALS LPAR2, LIPG, EDF1 LPAR1 4/4885MAOB 1008/4885HIF1A 1439/4885

“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.

Send feedback