SCHEMBL410448

SCHEMBL410448

COCc1cc(C(=O)O)ccc1-c1cccc(F)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 10/20 0.43
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
RAB9A P51151 3/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 2/20 0.40
MAPK1 P28482 1/20 0.40
PTGER1 P34995 1/20 0.39
RORC P51449 2/20 0.39
NPC1 O15118 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NR4A2 P43354 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL410318 0.89 PDK2 (0.43) MRGPRX4RAB9ALMNAHTTNPC1
SCHEMBL408762 0.87 PTGER1 (0.48) MRGPRX4S1PR1S1PR3RAB9ALMNA
SCHEMBL405857 0.86 S1PR1 (0.44) MRGPRX4S1PR1S1PR3RAB9ALMNA
SCHEMBL406660 0.82 NR4A2 (0.46) MRGPRX4RAB9ANPC1ALDH1A1NR4A2
SCHEMBL1725309 0.80 S1PR1 (0.51) MRGPRX4S1PR1S1PR3RAB9ALMNA
SCHEMBL19320904 0.79 MAOB (0.46) MRGPRX4S1PR1S1PR3RAB9ALMNA
SCHEMBL1725696 0.79 S1PR1 (0.48) MRGPRX4S1PR1S1PR3PTGER1RORC
SCHEMBL406852 0.79 TTR (0.45) S1PR1S1PR3RAB9ALMNAALDH1A1
SCHEMBL319590 0.78 S1PR1 (0.52) S1PR1S1PR3
SCHEMBL26219182 0.76 NR4A2 (0.46) MRGPRX4RAB9ANPC1ALDH1A1NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
EP-2414341-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-09-13 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
EP-2414341-A2 OXADIAZOLE DERIVATIVES Merck Serono SA (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 WO disclosed
WO-2010115751-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-14 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 (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-20120022109-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB MRGPRX4 1435/4885S1PR1 448/4885S1PR3 310/4885

“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.