SCHEMBL319915

SCHEMBL319915

Cc1cc(C(=O)O)ccc1-c1ccccc1C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.52
AKR1C3 P42330 2/20 0.49
AKR1C2 P52895 2/20 0.49
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
TTR P02766 3/20 0.46
KMO O15229 1/20 0.46
PTPRC P08575 2/20 0.45
TRPV1 Q8NER1 2/20 0.45
TRPA1 O75762 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.45
PDK2 Q15119 1/20 0.44
PPM1G O15355 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN7 P35236 1/20 0.44
PTPN5 P54829 1/20 0.44
PTPRO Q16827 1/20 0.44
PTPN22 Q9Y2R2 1/20 0.44
S1PR1 P21453 1/20 0.44
SRD5A2 P31213 2/20 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
SCHEMBL319595 0.88 GPBAR1 (0.49) RORCAKR1C3AKR1C2TTRPTPRC
SCHEMBL14925368 0.88 PDK2 (0.50) RORCAKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL272324 0.87 PTPRC (0.54) AKR1C3AKR1C2ALDH1A1HPGDTTR
SCHEMBL13601671 0.87 RORC (0.47) RORCAKR1C3AKR1C2ALDH1A1TTR
SCHEMBL13601649 0.87 RORC (0.49) RORCAKR1C3AKR1C2ALDH1A1TTR
SCHEMBL5784173 0.87 AKR1C3 (0.45) RORCAKR1C3AKR1C2ALDH1A1HPGD
SCHEMBL10035088 0.84 ALDH1A1 (0.49) AKR1C3AKR1C2ALDH1A1HPGDTTR
SCHEMBL2776641 0.84 NOTUM (0.54) AKR1C3AKR1C2ALDH1A1TRPV1TRPA1
SCHEMBL536230 0.83 RORC (0.42) RORCAKR1C3AKR1C2PTPRCS1PR1
SCHEMBL28160255 0.83 AKR1C3 (0.60) RORCAKR1C3AKR1C2ALDH1A1HPGD

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 86 patents — showing the first 20. 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
EP-2193125-B1 OXADIAZOLE DERIVATIVES MERCK SERONO SA (CH) 2017-01-11 EP disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
EP-2590956-B1 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate (S1P) receptors MERCK SERONO SA (CH) 2016-05-04 EP disclosed
CN-103097365-B 5- (biphenyl-4-yl) -3-phenyl-1, 2, 4-oxadiazolyl derivatives as ligands on sphingosine-1-phosphate (S1P) receptors MERCK SERONO S.A. (CH) 2016-02-24 CN disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
EP-2193126-B1 OXADIAZOLE DIARYL COMPOUNDS MERCK SERONO SA (CH) 2015-06-24 EP disclosed
US-9029405-B2 5-(biphenyl-4-yl)-3-phenyl-1,2,4-oxadiazolyl derivatives as ligands on the sphingosine 1-phosphate(SIP)receptors MERCK SERONO S.A. (CH) 2015-05-12 US disclosed
WO-2002083683-A9 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH CORP (US) 2004-02-26 WO disclosed
EP-1377583-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF; TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
EP-1377586-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
EP-1377581-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS Wyeth (US) 2004-01-07 EP disclosed
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH 2003-03-20 US disclosed
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists WYETH (US) 2003-01-23 US disclosed
US-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists WYETH 2003-01-09 US disclosed
WO-2002083678-A1 TRICYCLIC DIAZEPINES AS TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083683-A1 NOVEL TRICYCLIC PYRIDYL BENZAZEPINE CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 WO disclosed
WO-2002083680-A1 NOVEL TRICYCLIC HYDROXY CARBOXAMIDES AND DERIVATIVES THEREOF TOCOLYTIC OXYTOCIN RECEPTOR ANTAGONISTS WYETH (US) 2002-10-24 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 (3 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-20030008863-A1 Novel tricyclic diazepines tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 RORC 1417/4885AKR1C3 1151/4885AKR1C2 1582/4885
US-20030055047-A1 Novel tricyclic pyridyl carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, OPRK1 RORC 3865/4885AKR1C3 791/4885AKR1C2 1689/4885
US-20030018026-A1 Novel tricyclic hydroxy carboxamides and derivatives thereof tocolytic oxytocin receptor antagonists OXTR, OPRL1, HCRTR2 RORC 3827/4885AKR1C3 1073/4885AKR1C2 1813/4885

“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.