Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18185579

CC1CCCN(C2CCN(C(=O)c3ccc(C(=O)NCc4ccnc(Cl)c4)cc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 17/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ L3MBTL3 Q96JM7 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CXCR3 P49682 1/20 0.41

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
SCHEMBL16845209 0.94 ADRA1A (0.52) ADRA1AKDM4EALDH1A1MAPK1RAB9A
Trifluoroacetic Acid SCHEMBL18185650 0.84 ADRA1A (0.47) ADRA1AKDM4EALDH1A1MAPK1RAB9A
Trifluoroacetic Acid SCHEMBL18185574 0.83 ADRA1A (0.48) ADRA1AL3MBTL3L3MBTL1
SCHEMBL16845151 0.82 ADRA1A (0.54) ADRA1AKDM4EALDH1A1MAPK1RAB9A
Trifluoroacetic Acid SCHEMBL18185637 0.82 MAPK14 (0.51) ADRA1AKDM4EALDH1A1MAPK1RAB9A
Trifluoroacetic Acid SCHEMBL18185567 0.81 ADRA1A (0.45) ADRA1AKDM4EALDH1A1MAPK1RAB9A
Trifluoroacetic Acid SCHEMBL18185582 0.81 ADRA1A (0.49) ADRA1A
SCHEMBL16845216 0.81 ADRA1A (0.52) ADRA1AL3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL18185575 0.80 ADRA1A (0.57) ADRA1AKDM4EALDH1A1L3MBTL3L3MBTL1
Trifluoroacetic Acid SCHEMBL18185594 0.79 EPHX2 (0.49) 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 ADRA1A 1241/4885KDM4E 4751/4885ALDH1A1 3111/4885

“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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