SCHEMBL2762285

SCHEMBL2762285

Cc1cccc(C[C@@H](NC(=O)O)c2c(C)noc2-c2ccc(Br)cc2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.39
ALDH1A1 P00352 4/20 0.39
RAB9A P51151 3/20 0.39
LMNA P02545 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
HTT P42858 1/20 0.38
CSGALNACT1 Q8TDX6 1/20 0.36
LPAR1 Q92633 1/20 0.36
THRB P10828 1/20 0.35
RORC P51449 1/20 0.35
CTSB P07858 2/20 0.35
TSHR P16473 2/20 0.35
KMT2A Q03164 1/20 0.35
PTPN1 P18031 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.35
IMPDH2 P12268 1/20 0.35
CTSL P07711 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
SCHEMBL2839712 0.91 RAB9A (0.38) SMN1; SMN2ALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL2836880 0.91 RAB9A (0.42) SMN1; SMN2ALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL2761302 0.91 RAB9A (0.42) SMN1; SMN2ALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL2762295 0.88 FPR2 (0.40) SMN1; SMN2ALDH1A1RAB9ALMNANPC1
SCHEMBL2761216 0.88 CSGALNACT1 (0.39) LMNACSGALNACT1KMT2AMAPTUSP2
SCHEMBL2762232 0.87 MEN1 (0.40) SMN1; SMN2ALDH1A1RAB9ANPC1HTT
SCHEMBL2762258 0.82 TPH1 (0.44) SMN1; SMN2ALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL2762863 0.81 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1RAB9ALMNAL3MBTL1
SCHEMBL2762470 0.81 TRPA1 (0.43) SMN1; SMN2ALDH1A1RAB9ANPC1HTT
SCHEMBL2761549 0.81 TSHR (0.41) RAB9ANPC1LPAR1TSHRKMT2A

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 3 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
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 SMN1; SMN2 4481/4885ALDH1A1 4083/4885RAB9A 2824/4885

“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.