SCHEMBL410088

SCHEMBL410088

O=C(O)c1ccc(-c2ccccc2C(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.52
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TTR P02766 2/20 0.46
AKR1C3 P42330 1/20 0.46
AKR1C2 P52895 1/20 0.46
KMO O15229 1/20 0.46
PTPRC P08575 2/20 0.45
RARA P10276 1/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
PDK2 Q15119 1/20 0.44
TRPA1 O75762 1/20 0.44
TRPM8 Q7Z2W7 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL272324 0.87 PTPRC (0.54) ALDH1A1HPGDTTRAKR1C3AKR1C2
SCHEMBL10035088 0.84 ALDH1A1 (0.49) ALDH1A1HPGDTTRAKR1C3AKR1C2
SCHEMBL28160255 0.83 AKR1C3 (0.60) RORCALDH1A1HPGDTTRAKR1C3
SCHEMBL536555 0.83 NOTUM (0.52) RORCALDH1A1AKR1C3AKR1C2PDK2
SCHEMBL3927793 0.82 TSHR (0.59) TSHRALDH1A1TTRPTPRC
SCHEMBL319915 0.82 RORC (0.52) RORCALDH1A1HPGDTTRAKR1C3
SCHEMBL28747486 0.82 PTPRC (0.53) ALDH1A1HPGDTTRAKR1C3AKR1C2
SCHEMBL8506072 0.82 AKR1C3 (0.49) ALDH1A1HPGDTTRAKR1C3AKR1C2
SCHEMBL2769863 0.80 TSHR (0.71) TSHRALDH1A1TTRPTPRC
SCHEMBL4515661 0.80 TSHR (0.52) RORCTSHRTTRPTPRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102449-B Antiviral compound 豪夫迈·罗氏有限公司 2017-06-13 CN claimed
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
CN-102803238-B Oxadiazole Derivatives MERCK SERONO S.A. (CH) 2015-09-30 CN 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 RORC 41/4885TSHR 2360/4885ALDH1A1 510/4885
US-20120035226-A1 OXADIAZOLE DERIVATIVES OXA1L, HLA-DRB1, SSB RORC 41/4885TSHR 2360/4885ALDH1A1 510/4885

“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.