SCHEMBL16628530

SCHEMBL16628530

Cc1ccc(S(=O)(=O)N2CCC(F)(F)C(=CC(=O)ON(C3CCCCC3)C3CCCCC3)c3cc(F)ccc32)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 5/20 0.36
MAPT P10636 5/20 0.36
TP53 P04637 3/20 0.36
NR1I2 O75469 1/20 0.36
RORC P51449 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
GAA P10253 2/20 0.34
FKBP1A P62942 1/20 0.34
POLB P06746 1/20 0.34
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 1/20 0.33

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
SCHEMBL16628529 0.82 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL16628531 0.82 LMNA (0.39) ALDH1A1MEN1KMT2ALMNAMAPT
SCHEMBL16639239 0.82 MAPT (0.41) ALDH1A1CYP2C9CYP2C19LMNAMAPT
SCHEMBL18926571 0.82 MAPT (0.41) ALDH1A1CYP2C9CYP2C19LMNAMAPT
SCHEMBL16628365 0.73 LMNA (0.46) MEN1KMT2ALMNAMAPTTP53
SCHEMBL7678153 0.70 KCNN4 (0.46) ALDH1A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL7678157 0.70 KCNN4 (0.46) ALDH1A1MEN1KMT2ANPSR1CYP3A4
SCHEMBL18644411 0.68 LMNA (0.45) ALDH1A1MEN1KMT2ANPSR1LMNA
SCHEMBL16628386 0.67 MAPT (0.57) LMNAMAPTTP53NR1I2RORC
SCHEMBL16723452 0.66 MAPT (0.43) ALDH1A1MEN1KMT2ACYP3A4CYP2C9

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 6 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-20170158639-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD TACURION (US) 2017-06-08 US 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
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

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-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 ALDH1A1 1355/4885MEN1 1053/4885KMT2A 1807/4885
US-20170158639-A1 METHOD FOR PRODUCING 4,4,7-TRIFLUORO-1,2,3,4-TATRAHYDRO-5H-1-BENZAZEPINE COMPOUND AND INTERMEDIATE USED IN THE METHOD AVPR2, AVPR1A, AVPR1B ALDH1A1 1488/4885MEN1 1707/4885KMT2A 1672/4885

“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.