SCHEMBL2762295

SCHEMBL2762295

COc1cccc(C[C@@H](NC(=O)O)c2c(C)noc2-c2ccc(Br)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 3/20 0.39
FPR1 P21462 3/20 0.39
MME P08473 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC26A6 Q9BXS9 1/20 0.38
HPGD P15428 2/20 0.38
MAPT P10636 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
POLB P06746 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL2762258 0.88 TPH1 (0.44) FPR2SMN1; SMN2LMNAALDH1A1HTT
SCHEMBL2762285 0.88 SMN1; SMN2 (0.39) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL2839712 0.87 RAB9A (0.38) SMN1; SMN2LMNAALDH1A1TSHRHTT
SCHEMBL2836880 0.87 RAB9A (0.42) FPR2SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL2761302 0.87 RAB9A (0.42) FPR2SMN1; SMN2LMNAALDH1A1GAA
SCHEMBL2761216 0.84 CSGALNACT1 (0.39) LMNAMEN1KMT2AMAPT
SCHEMBL2762232 0.82 MEN1 (0.40) SMN1; SMN2ALDH1A1HTTMEN1KMT2A
SCHEMBL2762863 0.78 ALDH1A1 (0.40) SMN1; SMN2LMNAALDH1A1HTTTP53
SCHEMBL2762470 0.78 TRPA1 (0.43) SMN1; SMN2ALDH1A1GAAHTTMEN1
SCHEMBL2761549 0.78 TSHR (0.41) GAATSHRMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438048-B1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS INC (US) 2013-12-18 EP disclosed
US-8273780-B2 Polycyclic antagonists of lysophosphatidic acid receptors AMIRA PHARMACEUTICALS, INC. (US) 2012-09-25 US disclosed
WO-2010141768-A2 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
US-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS AMIRA PHARMACEUTICALS, INC. (US) 2010-12-09 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-20100311799-A1 POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS LPAR1, LPAR2, LPAR4 FPR2 231/4885SMN1; SMN2 4481/4885LMNA 867/4885

“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.