SCHEMBL1941890

SCHEMBL1941890

Cc1ccc(S(=O)(=O)O)c(C[C@H](C)O)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.37
CYP2C19 P33261 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
ALOX15 P16050 1/20 0.36
NR3C1 P04150 2/20 0.35
NR3C2 P08235 2/20 0.35
PGR P06401 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MEP1B Q16820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
RECQL P46063 1/20 0.34
CASP6 P55212 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
SCHEMBL1942110 1.00 LMNA (0.37) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL15311996 1.00 LMNA (0.37) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL30461150 1.00 LMNA (0.37) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4753902 0.88 ALOX15 (0.38) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL2337806 0.88 ALDH1A1 (0.38) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL30666800 0.88 LMNA (0.38) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL17460403 0.88 LMNA (0.38) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL10646190 0.88 ALDH1A1 (0.38) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL10440008 0.87 LMNA (0.35) LMNACYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL2986680 0.85 CYP2C19 (0.39) LMNACYP2C19CYP1A2CYP3A4CYP2D6

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
US-9951022-B2 Method for producing 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound and intermediate used in the method TACURION (US) 2018-04-24 US disclosed
EP-2860175-B1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF TACURION (US) 2017-11-29 EP disclosed
US-9598373-B2 Method for producing 4,4,7-trifluoro-1,2,3,4-tetrahydro-5H-1-benzazepine compound and intermediate used in the method TACURION (US) 2017-03-21 US disclosed
EP-2657227-B1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE WESTERN THERAPEUTICS INST INC D (JP) 2016-04-27 EP disclosed
US-20150141641-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD ASTELLAS PHARMA INC. (JP) 2015-05-21 US disclosed
EP-2860175-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE FOR SYNTHESIS THEREOF Astellas Pharma Inc. (JP) 2015-04-15 EP disclosed
US-8883792-B2 Substituted isoquinoline derivative D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2014-11-11 US disclosed
EP-2657227-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. Western Therapeutics Institute, Inc. (JP) 2013-10-30 EP disclosed
US-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE D. WESTERN THERAPEUTICS INSTITUTE, INC. (JP) 2013-10-17 US disclosed
EP-1619185-B1 4,4-DIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2011-06-15 EP disclosed
US-7807664-B2 4,4-difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof ASTELLA PHARMA INC. (JP) 2010-10-05 US disclosed
US-20070167429-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof ASTELLAS PHARMA INC. 2007-07-19 US disclosed
US-7183271-B2 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-20060122170-A1 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof ASTELLA PHARMA INC. (JP) 2006-06-08 US disclosed
EP-1619185-A1 4,4-DIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2006-01-25 EP 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-20130274269-A1 NOVEL SUBSTITUTED ISOQUINOLINE DERIVATIVE SULT2A1, SULT1A1, SFPQ LMNA 4114/4885CYP2C19 1539/4885CYP1A2 577/4885
US-20150141641-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TETRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD AVPR2, AVPR1A, AVPR1B LMNA 2939/4885CYP2C19 1324/4885CYP1A2 1434/4885
US-20070167429-A1 4,4-Difluoro-1,2,3,4-tetrahydro-5H-1-benzazepine derivative or salt thereof SLC5A1, SLC5A2, DPP4 LMNA 4192/4885CYP2C19 2132/4885CYP1A2 3430/4885
US-20060122170-A1 4,4-difluoro-1,2,3,4-tetrahydro-5h-1-benzazepine derivative or salt thereof SLC5A1, SLC5A2, DPP4 LMNA 4192/4885CYP2C19 2132/4885CYP1A2 3430/4885

“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.