SCHEMBL1495955

SCHEMBL1495955

COC(=O)c1ccc(CNC(=O)OC(C)(C)C)c(F)c1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
NR1H4 Q96RI1 2/20 0.50
BDKRB1 P46663 12/20 0.45
DPP4 P27487 2/20 0.41
KDM4A O75164 1/20 0.41
NOTUM Q6P988 1/20 0.41

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
SCHEMBL15862086 0.91 KDM4A (0.44) EPHX2NR1H4KDM4ANOTUM
SCHEMBL1495902 0.88 EPHX2 (0.64) EPHX2NR1H4BDKRB1KDM4A
SCHEMBL23832914 0.86 EPHX2 (0.49) EPHX2NR1H4BDKRB1KDM4A
SCHEMBL30193009 0.86 EPHX2 (0.49) EPHX2NR1H4BDKRB1KDM4A
SCHEMBL1495846 0.85 EPHX2 (0.49) EPHX2KDM4ANOTUM
SCHEMBL30739196 0.85 EPHX2 (0.48) EPHX2NR1H4KDM4A
SCHEMBL507345 0.85 EPHX2 (0.48) EPHX2NR1H4BDKRB1KDM4A
SCHEMBL15729681 0.85 EPHX2 (0.54) EPHX2NR1H4KDM4A
SCHEMBL2441663 0.84 NOTUM (0.48) KDM4ANOTUM
SCHEMBL21711922 0.84 SERPINE1 (0.41) EPHX2NR1H4BDKRB1KDM4A

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3886854-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF Nuvation Bio Inc. (US) 2021-10-06 EP disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NUVATION BIO INC. (BM) 2021-06-15 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
US-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2020-07-30 US disclosed
WO-2020113094-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NUVATION BIO INC. (US) 2020-06-04 WO disclosed
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
US-8202858-B2 Vasopressin V1a antagonists VANTIA LIMITED (GB) 2012-06-19 US disclosed
EP-1660501-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2006-05-31 EP disclosed
EP-1632494-A1 Vasopressin v1a antagonists FERRING B.V. (NL) 2006-03-08 EP disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
WO-2006021213-A2 VASOPRESSIN V1A ANTAGONISTS FERRING B.V. (NL) 2006-03-02 WO disclosed
EP-1592693-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS Ferring B.V. (NL) 2005-11-09 EP disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
WO-2005023812-A2 PIPERAZINES AS OXYTOCIN AGONISTS FERRING B.V. (NL) 2005-03-17 WO disclosed
EP-1512687-A1 Piperazines as oxytocin agonists FERRING B.V. (NL) 2005-03-09 EP disclosed
WO-2004072083-A1 BENZAMIDE DERIVATIVES AS OXYTOCIN AGONISTS AND VASOPRESSIN ANTAGONISTS FERRING B.V. (NL) 2004-08-26 WO disclosed
EP-1449844-A1 benzamide derivatives as oxytocin agonists and vasopressin antagonists FERRING B.V. (NL) 2004-08-25 EP 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-20200239433-A1 PYRROLE AND PYRAZOLE COMPOUNDS AND METHODS OF USE THEREOF NCOA3, NCOA1, NR3C1 EPHX2 3882/4885NR1H4 69/4885BDKRB1 1906/4885
US-11034669-B2 Pyrrole and pyrazole compounds and methods of use thereof NCOA3, NCOA1, NR3C1 EPHX2 3882/4885NR1H4 69/4885BDKRB1 1906/4885

“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.