SCHEMBL1853555

SCHEMBL1853555

O=C(O)C(=O)N(Cc1ccc(-c2cccc(C(=O)NCC(c3ccccc3)c3ccccc3)c2)cc1)Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.53
BCL2L1 Q07817 1/20 0.46
MCL1 Q07820 1/20 0.46
EPHX2 P34913 3/20 0.46
MDM2 Q00987 1/20 0.43
FFAR1 O14842 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALOX5 P09917 1/20 0.42
PRMT5 O14744 1/20 0.41
GPR139 Q6DWJ6 1/20 0.41
ACP3 P15309 1/20 0.41
HDAC2 Q92769 1/20 0.41
MTTP P55157 2/20 0.41
CYP24A1 Q07973 1/20 0.40
MGLL Q99685 1/20 0.40
LSS P48449 1/20 0.40
ROCK2 O75116 1/20 0.40
AKR1C3 P42330 1/20 0.39

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
SCHEMBL1854412 0.91 NR1H4 (0.48) TACR1EPHX2NR1H4PRMT5
SCHEMBL1854789 0.87 UTS2R (0.48) EPHX2NR1H4PRMT5
SCHEMBL1855755 0.84 TMEM97 (0.51) BCL2L1MCL1EPHX2TMEM97SIGMAR1
SCHEMBL1855533 0.83 GPR139 (0.43) EPHX2NR1H4SIGMAR1PRMT5GPR139
SCHEMBL5039647 0.82 TACR1 (0.54) TACR1BCL2L1MCL1EPHX2FFAR1
SCHEMBL1857017 0.81 NAAA (0.48) BCL2L1MCL1EPHX2TMEM97SIGMAR1
SCHEMBL1861375 0.81 NAAA (0.48) BCL2L1MCL1EPHX2TMEM97SIGMAR1
SCHEMBL1856127 0.81 EPHX2 (0.53) BCL2L1MCL1EPHX2TMEM97SIGMAR1
SCHEMBL1851264 0.80 LSS (0.48) EPHX2NR1H4LSSAKR1C3
SCHEMBL1853721 0.79 POLB (0.43) BCL2L1MCL1EPHX2TMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP claimed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP claimed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US claimed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 US claimed
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed
US-7592477-B2 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases (PTPs) LABORATOIRES SERONO SA (CH) 2009-09-22 US disclosed
EP-1732534-B1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS SERONO LAB (CH) 2008-07-23 EP disclosed
US-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (NL) 2007-08-09 US disclosed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP disclosed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO disclosed
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) APPLIED RESEARCH SYSTEMS ARS (NL) 2005-06-09 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 (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-20070185118-A1 Use of methylene amide derivatives in cardiovascular disorders TNNI3, TNNT2, ADM2 TACR1 1030/4885BCL2L1 2487/4885MCL1 2750/4885
US-20050124656-A1 Substituted methylene amide derivatives as modulators of protein tyrosine phosphatases(ptps) PTPRS, PTPA, PTPMT1 TACR1 1545/4885BCL2L1 1441/4885MCL1 2009/4885

“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.