SCHEMBL3116201

SCHEMBL3116201

Clc1cccc(Br)c1-c1ccc2c(c1)OCC2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 17/20 0.46
FABP3 P05413 6/20 0.44
FABP5 Q01469 2/20 0.44
PRKAB2 O43741 1/20 0.44
PRKAG1 P54619 1/20 0.44
PRKAA2 P54646 1/20 0.44
PRKAA1 Q13131 1/20 0.44
PRKAG3 Q9UGI9 1/20 0.44
PRKAG2 Q9UGJ0 1/20 0.44
PRKAB1 Q9Y478 1/20 0.44
GSK3B P49841 1/20 0.34

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
SCHEMBL3636760 0.71 PRKAB2 (0.41) FABP4FABP3FABP5PRKAB2PRKAG1
SCHEMBL28074539 0.70 DYRK1A (0.44) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL22681646 0.68 AXL (0.47) FABP4FABP3PRKAB2PRKAG1PRKAA2
SCHEMBL3569291 0.68 ALOX5 (0.41)
SCHEMBL1701274 0.68 AHR (0.48) FABP4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL1701859 0.68 AHR (0.48) FABP4PRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL3570866 0.67 GRIA1 (0.42) FABP4
SCHEMBL2850180 0.67 FABP3 (0.49) FABP4FABP3FABP5
SCHEMBL267355 0.67 LMNA (0.53)
SCHEMBL1701850 0.67 MAP3K14 (0.46) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100317697-A1 Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2010-12-16 US disclosed
US-20100179109-A1 RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. 2010-07-15 US disclosed
EP-2167609-A1 RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2010-03-31 EP disclosed
WO-2009096996-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-08-06 WO disclosed
WO-2008124575-A1 RENIN INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-10-16 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-20100179109-A1 RENIN INHIBITORS REN, ACE, AGTR1 FABP4 1708/4885FABP3 574/4885FABP5 2059/4885
US-20100317697-A1 Renin Inhibitors REN, ACE, SERPINB1 FABP4 1625/4885FABP3 604/4885FABP5 1958/4885

“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.