SCHEMBL2298426

SCHEMBL2298426

COc1ccc(-c2ccc(CCl)c(F)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
ABCB1 P08183 3/20 0.44
MAOB P27338 2/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
MAPK1 P28482 1/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
ESR2 Q92731 1/20 0.41
DYRK1A Q13627 2/20 0.41
CYP17A1 P05093 1/20 0.41
ALDH1A1 P00352 2/20 0.40
GFER P55789 1/20 0.40

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
SCHEMBL489792 0.85 ALDH1A1 (0.47) MAOBDYRK1AALDH1A1GFER
SCHEMBL16541887 0.83 NAAA (0.50) ABCB1RAB9ACYP17A1ALDH1A1NAAA
SCHEMBL2293149 0.83 RAB9A (0.46) CYP11B1CYP11B2ABCB1MAOBABL1
SCHEMBL2889753 0.81 ABL1 (0.44) ABCB1MAOBABL1BCRRAB9A
SCHEMBL19722074 0.78 CYP17A1 (0.57) CYP11B1CYP11B2ABCB1ABL1BCR
SCHEMBL12423217 0.78 MAOB (0.52) CYP11B1CYP11B2MAOBRAB9ANPC1
SCHEMBL11977676 0.78 APP (0.47) CYP11B1CYP11B2ABCB1MAOBABL1
SCHEMBL3614957 0.77 CYP11B1 (0.53) CYP11B1CYP11B2ABCB1MAOBABL1
SCHEMBL30979870 0.77 CYP11B1 (0.53) CYP11B1CYP11B2ABCB1MAOBABL1
SCHEMBL9664333 0.76 MAOB (0.53) CYP11B1CYP11B2ABCB1MAOBESR2

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-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
EP-1940811-B1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER IP GMBH (DE) 2014-02-26 EP disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-7998988-B2 Biphenyl compounds useful in the treatment or prevention of cardiovascular disorders BAYER SCHERING PHARMA AKTIENGELLSCHAFT (DE) 2011-08-16 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
US-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases BAYER HEALTHCARE AG (DE) 2009-09-10 US disclosed
EP-1368301-B1 SIDE-CHAIN HALOGENATED AMINO CARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-10-31 EP disclosed
EP-1368301-B1 SIDE-CHAIN HALOGENATED AMINO CARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-10-31 EP disclosed
WO-2007045366-A1 HETEROCYCLIC COMPOUNDS WITH CARBOXYL ISOSTERE GROUPS AND THEIR USE FOR THE TREATMENT OF CARDIOVASCULAR DISEASES BAYER HEALTHCARE AG (DE) 2007-04-26 WO disclosed
US-6939989-B2 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER AKTIENGESELLSCHAFT (DE) 2005-09-06 US disclosed
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2004-04-29 US disclosed
EP-1368301-A1 SIDE-CHAIN HALOGENATED AMINO CARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES Bayer Aktiengesellschaft (DE) 2003-12-10 EP disclosed
WO-2002070461-A1 SIDE-CHAIN HALOGENATED AMINO CARBOXYLIC ACID DERIVATIVES AS MEDICAMENTS FOR TREATING CARDIOVASCULAR DISEASES BAYER AKTIENGESELLSCHAFT (DE) 2002-09-12 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-20090227640-A1 Heterocyclic compounds with carboxyl isostere groups and their use for the treatment of cardiovascular diseases TNNI3, PC, TNNT2 CYP11B1 7/4885CYP11B2 6/4885ABCB1 713/4885
US-20040082658-A1 Side-chain halogenated amino dicarboxylic acid derivatives as medicaments for treating cardiovascular diseases BCAT2, BCAT1, AADAT CYP11B1 152/4885CYP11B2 93/4885ABCB1 672/4885

“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.