SCHEMBL1495979

SCHEMBL1495979

Cc1cc(C(=O)O)ccc1CNC(=O)OC(C)(C)C

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.64
NR1H4 Q96RI1 4/20 0.46
KDM4A O75164 1/20 0.43
MAPT P10636 1/20 0.43
AVPR2 P30518 1/20 0.42
HDAC1 Q13547 1/20 0.42
BRD4 O60885 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
NAMPT P43490 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
PPARD Q03181 2/20 0.40
KCNA5 P22460 1/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL15862351 0.89 EPHX2 (0.51) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL1495846 0.88 EPHX2 (0.49) EPHX2KDM4AMAPTAVPR2HDAC1
SCHEMBL16790458 0.87 EPHX2 (0.48) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL7403265 0.85 EPHX2 (0.49) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL17059395 0.85 NR1H4 (0.48) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL6389333 0.85 EPHX2 (0.46) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL2446141 0.85 EPHX2 (0.46) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL1346036 0.85 EPHX2 (0.64) EPHX2NR1H4KDM4AHDAC10HDAC6
SCHEMBL1495902 0.85 EPHX2 (0.64) EPHX2NR1H4KDM4AMAPTHDAC1
SCHEMBL15171404 0.84 NPC1 (0.52) EPHX2KDM4ANPC1RAB9AKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781661-B1 VASOPRESSIN V1A ANTAGONISTS VANTIA LTD (GB) 2017-06-07 EP disclosed
CN-102617580-B Vasopressin v1a antagonists VANTIA LTD 2015-03-04 CN disclosed
CN-102617580-A Vasopressin V1a Antagonists FERRING BV 2012-08-01 CN 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-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
EP-2256119-B1 Vasopressin V1a antagonists VANTIA LTD (GB) 2012-05-09 EP disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS BATT ANDRZEJ ROMAN (GB) 2012-04-26 US disclosed
US-20100016373-A1 IMIDAZOLE CARBOXAMIDES ELI LILLY AND COMPANY 2010-01-21 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
CN-101563347-A Vasopressin V1a antagonists VANTIA LTD (GB) 2009-10-21 CN disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
US-20090029965-A1 Vasopressin V1a Antagonists FERRING B.V. (NL) 2009-01-29 US disclosed
EP-1781661-A2 VASOPRESSIN V1A ANTAGONISTS Ferring B.V. (NL) 2007-05-09 EP disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 US 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100016373-A1 IMIDAZOLE CARBOXAMIDES CYP3A4, CYP2C9, AADAC EPHX2 774/4885NR1H4 1148/4885KDM4A 340/4885
US-20120101082-A1 VASOPRESSIN V1A ANTAGONISTS AVPR1A, AVPR2, AVPR1B EPHX2 3647/4885NR1H4 1200/4885KDM4A 3399/4885
US-20090029965-A1 Vasopressin V1a Antagonists AVPR1A, AVPR2, AVPR1B EPHX2 3647/4885NR1H4 1200/4885KDM4A 3399/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 EPHX2 4299/4885NR1H4 4266/4885KDM4A 3839/4885

“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.