SCHEMBL16196202

SCHEMBL16196202

CC1(C)OB(c2cncc(CC(=O)OCc3ccccc3)c2)OC1(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DGAT1 O75907 1/20 0.43
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LIPG Q9Y5X9 3/20 0.40
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
PDGFRB P09619 1/20 0.38
KDR P35968 1/20 0.38
LPL P06858 2/20 0.38
ENPP2 Q13822 1/20 0.37
P2RX7 Q99572 1/20 0.36
PAM P19021 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36

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
SCHEMBL16203272 0.88 DGAT1 (0.41) ALDH1A1MAPK1L3MBTL1DGAT1KMT2A
SCHEMBL23881427 0.84 GSK3A (0.39) L3MBTL1DGAT1LIPGLPL
SCHEMBL1239997 0.83 ALDH1A1 (0.60) ALDH1A1MAPK1L3MBTL1DGAT1LIPG
SCHEMBL25232467 0.82 CYP11B1 (0.43) ALDH1A1MAPK1DGAT1GFERLIPG
SCHEMBL3616244 0.80 LIPG (0.42) DGAT1LIPGPDGFRBKDRLPL
SCHEMBL28822828 0.80 POLB (0.51) ALDH1A1DGAT1KMT2AMEN1HTT
SCHEMBL29789810 0.80 POLB (0.51) ALDH1A1DGAT1KMT2AMEN1HTT
SCHEMBL2477459 0.78 DGAT1 (0.40) ALDH1A1L3MBTL1DGAT1KMT2AMEN1
SCHEMBL16052161 0.76 F11 (0.43) DGAT1LIPGPDGFRBKDRLPL
SCHEMBL13536239 0.76 DGAT1 (0.60) MAPK1DGAT1KMT2AMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-B1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2018-06-13 EP disclosed
EP-2991985-A1 ALDOSTERONE SYNTHASE INHIBITORS Boehringer Ingelheim International GmbH (DE) 2016-03-09 EP disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
US-9181272-B2 Aldosterone synthase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-11-10 US disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
WO-2014179186-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-11-06 WO disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US disclosed
US-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-10-30 US 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 (1 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-20140323468-A1 ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, REN ALDH1A1 395/4885MAPK1 991/4885L3MBTL1 4295/4885

“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.