SCHEMBL433224

SCHEMBL433224

COC(=O)C(C#N)Cc1ccc(O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 7/20 0.58
ESR2 Q92731 7/20 0.58
MIF P14174 2/20 0.50
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TSHR P16473 1/20 0.44
LNPEP Q9UIQ6 1/20 0.44
MDM4 O15151 1/20 0.44
MDM2 Q00987 1/20 0.44
CTSS P25774 2/20 0.43
CTSK P43235 2/20 0.43
ANPEP P15144 2/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL28384249 0.87 ATM (0.46) ESR1ESR2MIFCTSKANPEP
SCHEMBL12321430 0.86 CTSC (0.49) ESR1ESR2KMT2AALDH1A1ANPEP
SCHEMBL6818027 0.86 ESR1 (0.46) ESR1ESR2MIFKMT2AMEN1
SCHEMBL31474258 0.86 NOS2 (0.48) ESR1ESR2KMT2AMEN1TSHR
SCHEMBL11925791 0.86 NLRP3 (0.47) ESR1ESR2ALDH1A1CYP3A4CYP2C19
SCHEMBL10523997 0.85 ANPEP (0.57) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL9788997 0.84 TAS1R3 (0.46) ESR1ESR2ALDH1A1ANPEP
SCHEMBL10536462 0.83 ALDH1A1 (0.47) ESR1ESR2KMT2AMEN1ALDH1A1
SCHEMBL21763387 0.83 ANPEP (0.52) CYP1A2CYP3A4CTSSCTSKANPEP
SCHEMBL8416993 0.81 CYP3A4 (0.44) ESR1ESR2MIFKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
EP-2595952-B1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2020-11-18 EP disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-9278915-B2 Agonists of GPR40 CONNEXIOS LIFE SCIENCES PVT LTD (IN) 2016-03-08 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
US-20130237571-A1 AGONISTS OF GPR40 Conexios Life Sciences PVT. LTD. (IN) 2013-09-12 US disclosed
EP-2595952-A1 AGONISTS OF GPR40 Connexios Life Sciences Pvt. Ltd. (IN) 2013-05-29 EP disclosed
WO-2012011125-A1 AGONISTS OF GPR40 CONNEXIOS LIFE SCIENCES PVT. LTD. (IN) 2012-01-26 WO disclosed
EP-1237857-B1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2004-06-30 EP disclosed
US-6630509-B2 Pharmaceutical medication associated with insulin resistance; patient with prophylaxis conditions having reduced sensitivity to insulin ASTRAZENECA AB (SE) 2003-10-07 US disclosed
US-20030018207-A1 Phenalkyloxy-phenyl derivatives ASTRAZENECA AB (SE) 2003-01-23 US disclosed
EP-1237857-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES AstraZeneca AB (SE) 2002-09-11 EP disclosed
WO-2001040170-A1 NEW PHENALKYLOXY-PHENYL DERIVATIVES ASTRAZENECA AB (SE) 2001-06-07 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-20130237571-A1 AGONISTS OF GPR40 GPR65, GPR55, GPR68 ESR1 231/4885ESR2 183/4885MIF 2960/4885
US-20030018207-A1 Phenalkyloxy-phenyl derivatives GPR119, INSR, IAPP ESR1 2244/4885ESR2 305/4885MIF 541/4885

“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.