Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3276486

COC(=O)c1ccc(-c2cccc3c2OCCNC3)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 17/20 0.43
S1PR1 P21453 1/20 0.40
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
KCNH2 Q12809 1/20 0.38
SSTR1 P30872 2/20 0.38
SSTR2 P30874 2/20 0.38
SSTR3 P32745 2/20 0.38
SSTR5 P35346 2/20 0.38

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
Trifluoroacetic Acid SCHEMBL3281053 0.88 DRD2 (0.43) SSTR4S1PR1
Trifluoroacetic Acid SCHEMBL3281724 0.86 CHEK2 (0.42) SSTR4S1PR1OPRD1OPRK1KCNH2
Trifluoroacetic Acid SCHEMBL3276216 0.86 SSTR4 (0.44) SSTR4S1PR1SSTR1SSTR2SSTR3
Trifluoroacetic Acid SCHEMBL3275406 0.85 SSTR4 (0.41) SSTR4S1PR1
Trifluoroacetic Acid SCHEMBL3283658 0.85 SSTR4 (0.53) SSTR4S1PR1SSTR1SSTR2SSTR3
Trifluoroacetic Acid SCHEMBL3283180 0.84 SSTR4 (0.48) SSTR4SSTR1SSTR2SSTR3SSTR5
Trifluoroacetic Acid SCHEMBL3276723 0.83 SSTR4 (0.42) SSTR4S1PR1SSTR1SSTR2SSTR3
Trifluoroacetic Acid SCHEMBL3283657 0.82 SSTR4 (0.41) SSTR4S1PR1SSTR1SSTR2SSTR3
Trifluoroacetic Acid SCHEMBL3281299 0.80 SSTR4 (0.40) SSTR4S1PR1
Trifluoroacetic Acid SCHEMBL3276482 0.80 SSTR4 (0.43) SSTR4S1PR1SSTR1SSTR2SSTR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2123644-B1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2014-12-17 EP disclosed
US-8247403-B2 Benzoxazepine derivatives and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-08-21 US disclosed
US-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-04-08 US disclosed
EP-2123644-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-11-25 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 (1 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-20100087418-A1 BENZOXAZEPINE DERIVATIVES AND USE THEREOF HTR2C, HTR5A, HTR2B SSTR4 468/4885S1PR1 1885/4885OPRD1 83/4885

“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.