SCHEMBL2770922

SCHEMBL2770922

CCOCc1cc(C(=O)O)ccc1-c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTPRC P08575 2/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
NR1H4 Q96RI1 4/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
SRD5A2 P31213 2/20 0.39
POLB P06746 2/20 0.39
KMT2A Q03164 1/20 0.39
SRD5A1 P18405 1/20 0.39
CASP6 P55212 1/20 0.39

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
SCHEMBL2773800 0.87 MAPT (0.42) PPARGPPARAPOLB
SCHEMBL319590 0.86 S1PR1 (0.52) TTRRXRARXRBRXRGPTPRC
SCHEMBL405968 0.81 TTR (0.47) TTRPTPRCNR1H4PPARGPPARA
SCHEMBL792460 0.81 MRGPRX4 (0.55) RXRARXRBRXRGMRGPRX4POLB
SCHEMBL2789367 0.80 TTR (0.46) TTRPTPRCNR1H4PPARGPPARA
SCHEMBL409177 0.79 ALDH1A1 (0.51) TTRPTPRCS1PR1NR1H4SRD5A2
Water SCHEMBL2789366 0.79 TTR (0.45) TTRPTPRCNR1H4PPARGPPARA
SCHEMBL411017 0.78 TSHR (0.56) TTRRXRARXRBRXRGMRGPRX4
SCHEMBL272092 0.77 TTR (0.56) TTRPTPRCNR1H4SRD5A2POLB
SCHEMBL16457027 0.77 LMNA (0.39) RXRAMRGPRX4POLBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-8202865-B2 Oxadiazole derivatives MERCK SERONO SA (CH) 2012-06-19 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
US-20100240658-A1 Oxadiazole Derivatives MERCK SERONO SA (CH) 2010-09-23 US disclosed
EP-2193125-A2 OXADIAZOLE DERIVATIVES Merck Serono S.A. (CH) 2010-06-09 EP disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 WO disclosed
WO-2009043889-A2 OXADIAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2009-04-09 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-20100240658-A1 Oxadiazole Derivatives OXA1L, RO60, NQO2 TTR 3389/4885RXRA 524/4885RXRB 351/4885

“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.