Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18185594

CC1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ccccc4C(F)(F)F)cc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 10/20 0.49
▸ PPARG P37231 5/20 0.47
▸ ADRA1A P35348 6/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ EPHX1 P07099 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44

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
SCHEMBL16845095 0.97 EPHX2 (0.49) EPHX2PPARGADRA1AMEN1KMT2A
Trifluoroacetic Acid SCHEMBL18185650 0.85 ADRA1A (0.47) ADRA1AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL18185575 0.85 ADRA1A (0.57) ADRA1AMEN1KMT2AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL18185574 0.81 ADRA1A (0.48) ADRA1A
Trifluoroacetic Acid SCHEMBL18185629 0.81 ADRA1A (0.53) ADRA1A
Trifluoroacetic Acid SCHEMBL18185565 0.81 ADRA1A (0.49) ADRA1AMEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL18185566 0.81 ADRA1A (0.46) ADRA1AKMT2AKDM4E
Trifluoroacetic Acid SCHEMBL18185637 0.80 MAPK14 (0.51) PPARGADRA1AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL18185659 0.80 ADRA1A (0.58) ADRA1AMEN1KMT2AKDM4EALDH1A1
Trifluoroacetic Acid SCHEMBL18185567 0.80 ADRA1A (0.45) ADRA1AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-11-03 — — US 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-20160318866-A1 SUBSTITUTED BIPIPERIDINYL DERIVATIVES TNNI3, TNNC1, FABP3 EPHX2 2809/4885PPARG 674/4885ADRA1A 1241/4885

“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.

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