SCHEMBL16639239

SCHEMBL16639239

Cc1ccc(S(=O)(=O)N2CCC(F)(F)/C(=C\C(=O)O)c3cc(F)ccc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
LMNA P02545 3/20 0.41
RORC P51449 3/20 0.41
TP53 P04637 2/20 0.41
NR1I2 O75469 2/20 0.41
NR1H2 P55055 2/20 0.41
NR1H3 Q13133 2/20 0.41
GAA P10253 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
GPR183 P32249 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 1/20 0.36
NCSTN Q92542 1/20 0.36
APH1A Q96BI3 1/20 0.36
PSENEN Q9NZ42 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL18926571 1.00 MAPT (0.41) MAPTLMNARORCTP53NR1I2
SCHEMBL16628529 0.91 LMNA (0.39) MAPTLMNARORCTP53NR1I2
SCHEMBL16628531 0.91 LMNA (0.39) MAPTLMNARORCTP53NR1I2
SCHEMBL7678157 0.87 KCNN4 (0.46) MAPTLMNATP53GAASMN1; SMN2
SCHEMBL7678153 0.87 KCNN4 (0.46) MAPTLMNATP53GAASMN1; SMN2
SCHEMBL16628530 0.82 ALDH1A1 (0.37) MAPTLMNARORCTP53NR1I2
SCHEMBL16628365 0.82 LMNA (0.46) MAPTLMNARORCTP53NR1I2
SCHEMBL18644411 0.77 LMNA (0.45) MAPTLMNARORCTP53NR1I2
SCHEMBL16639237 0.76 TRPA1 (0.38) ALDH1A1
SCHEMBL7682776 0.74 KCNN4 (0.42) LMNAGPR183POLBCYP2C19ALDH1A1

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 9 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-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-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
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 MAPT 3439/4885LMNA 2939/4885RORC 3458/4885
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 MAPT 2061/4885LMNA 3243/4885RORC 3394/4885

“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.