SCHEMBL16628428

SCHEMBL16628428

COC(=O)c1ccc(OC[C@@H]2CO2)cc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
TP53 P04637 3/20 0.44
TSHR P16473 3/20 0.44
HIF1A Q16665 2/20 0.44
CYP3A4 P08684 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MAPT P10636 2/20 0.44
HPGD P15428 2/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP1A2 P05177 2/20 0.44
PPARG P37231 1/20 0.44
PKM P14618 2/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
ESRRA P11474 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CFTR P13569 2/20 0.40
CYP2C9 P11712 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
SCHEMBL2089720 0.85 PARP10 (0.50) THRATHRBESRRACFTRSCN9A
SCHEMBL10911834 0.84 ALDH1A1 (0.51) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL22988780 0.84 PARP10 (0.48) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21197713 0.84 PARP10 (0.48) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL21197712 0.84 PARP10 (0.48) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL4441810 0.82 CA12 (0.53) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL7092195 0.80 TSHR (0.49) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL24319562 0.79 TP53 (0.46) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL16723457 0.79 ALDH1A1 (0.54) ALDH1A1TP53TSHRHIF1ACYP3A4
SCHEMBL1942565 0.78 CYP1A2 (0.46) ALDH1A1CYP1A2THRATHRBESRRA

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 1355/4885TP53 4354/4885TSHR 554/4885
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 1488/4885TP53 4155/4885TSHR 101/4885

“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.