SCHEMBL407578

SCHEMBL407578

COCc1cc(C(=O)O)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.50
MRGPRX4 Q96LA9 3/20 0.46
RXRA P19793 1/20 0.46
RXRB P28702 1/20 0.46
RXRG P48443 1/20 0.46
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
EPHX2 P34913 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMO O15229 1/20 0.40
TTR P02766 2/20 0.40
SRD5A2 P31213 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40

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
SCHEMBL1725696 0.89 S1PR1 (0.48) TRPA1MRGPRX4RXRARXRBRXRG
SCHEMBL536245 0.89 TRPA1 (0.49) TRPA1MRGPRX4AKR1C3AKR1C2MAOA
SCHEMBL10035261 0.88 MRGPRX4 (0.44) TRPA1MRGPRX4RXRARXRBRXRG
SCHEMBL10035260 0.84 EPHX2 (0.44) MRGPRX4RXRARXRBRXRGAKR1C3
SCHEMBL408762 0.83 PTGER1 (0.48) MRGPRX4ALDH1A1TTRSRD5A2S1PR1
SCHEMBL406852 0.82 TTR (0.45) ALDH1A1HPGDTTRSRD5A2S1PR1
SCHEMBL319590 0.81 S1PR1 (0.52) RXRARXRBRXRGTTRSRD5A2
SCHEMBL272324 0.80 PTPRC (0.54) MRGPRX4RXRARXRBRXRGAKR1C3
SCHEMBL5786405 0.80 AKR1C3 (0.55) TRPA1MRGPRX4RXRARXRBRXRG
SCHEMBL406660 0.80 NR4A2 (0.46) MRGPRX4RXRARXRBAKR1C3AKR1C2

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 14 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-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
EP-2414342-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-05-31 EP disclosed
US-8815919-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-26 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-8802704-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
US-20120035226-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-02-09 US disclosed
EP-2414342-A1 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2012-02-08 EP disclosed
US-20120022109-A1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2012-01-26 US disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 WO disclosed
WO-2010112461-A1 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2010-10-07 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 (2 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 TRPA1 2937/4885MRGPRX4 1435/4885RXRA 2279/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB TRPA1 2937/4885MRGPRX4 1435/4885RXRA 2279/4885

“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.