SCHEMBL2669826

SCHEMBL2669826

CCCCOC(=O)C(Cc1ccc(C(=O)OC)cc1)c1ccc(Br)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.49
CASP1 P29466 1/20 0.49
RAB9A P51151 1/20 0.49
ESR1 P03372 3/20 0.47
ESR2 Q92731 1/20 0.47
LMNA P02545 2/20 0.43
CYP1A2 P05177 2/20 0.43
TSHR P16473 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
RNASEL Q05823 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 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
SCHEMBL2658573 0.81 ESR1 (0.50) NPC1RAB9AESR1ESR2TSHR
SCHEMBL1918994 0.81 ESR1 (0.48) ESR1ESR2LMNATSHRCYP2C19
SCHEMBL2669771 0.79 MAPT (0.52) NPC1RAB9AESR1ESR2TSHR
SCHEMBL1919196 0.76 ESR1 (0.56) ESR1ESR2HPGDKDM4EALDH1A1
SCHEMBL15540843 0.76 SMN1; SMN2 (0.43) NPC1RAB9AESR1LMNACYP1A2
SCHEMBL7999502 0.75 ESR1 (0.72) NPC1RAB9AESR1LMNACYP1A2
SCHEMBL27864992 0.74 ESR1 (0.53) ESR1ESR2TSHRHPGDKDM4E
SCHEMBL6057132 0.73 TSHR (0.74) NPC1CASP1RAB9AESR1LMNA
SCHEMBL11596525 0.72 SMN1; SMN2 (0.47) NPC1RAB9AESR1LMNACYP1A2
SCHEMBL9119849 0.72 UBE2N (0.49) NPC1RAB9AESR1ESR2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. 2017-09-28 US disclosed
US-9701626-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2017-07-11 US disclosed
US-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2016-01-14 US disclosed
US-9169201-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2015-10-27 US disclosed
EP-2786985-A2 Antagonists of the glucagon receptor Metabasis Therapeutics, Inc. (US) 2014-10-08 EP disclosed
EP-2129654-B1 ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS INC (US) 2014-05-28 EP disclosed
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2014-05-15 US disclosed
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor METABASIS THERAPEUTICS, INC. (US) 2012-08-23 US disclosed
WO-2008098244-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR METABASIS THERAPEUTICS, INC. (US) 2008-08-14 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-20160009639-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 NPC1 956/4885CASP1 2371/4885RAB9A 2620/4885
US-20140135400-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 NPC1 956/4885CASP1 2371/4885RAB9A 2620/4885
US-20120214769-A1 Novel Antagonists of the Glucagon Receptor GLP1R, GCGR, GPR119 NPC1 956/4885CASP1 2371/4885RAB9A 2620/4885
US-20170275246-A1 NOVEL ANTAGONISTS OF THE GLUCAGON RECEPTOR GLP1R, GCGR, GPR119 NPC1 956/4885CASP1 2371/4885RAB9A 2620/4885

“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.