Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL18185566

CC1CCCN(C2CCN(C(=O)c3ccc(C(=O)NC(C)(C)c4ccccc4Cl)cc3)CC2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADRA1A P35348 13/20 0.46
▸ L3MBTL3 Q96JM7 4/20 0.43
▸ L3MBTL1 Q9Y468 4/20 0.43
▸ GRM5 P41594 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ MBTD1 Q05BQ5 1/20 0.41
▸ TP53BP1 Q12888 1/20 0.41
▸ L3MBTL4 Q8NA19 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
SCHEMBL16823950 0.95 ADRA1A (0.50) ADRA1AL3MBTL3L3MBTL1GRM5MBTD1
Trifluoroacetic Acid SCHEMBL18185565 0.89 ADRA1A (0.49) ADRA1AL3MBTL3L3MBTL1KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL18185604 0.87 GRM5 (0.51) ADRA1AL3MBTL3L3MBTL1GRM5MBTD1
Trifluoroacetic Acid SCHEMBL18185583 0.86 ADRA1A (0.46) ADRA1AL3MBTL3L3MBTL1GRM5KMT2A
Trifluoroacetic Acid SCHEMBL18185629 0.86 ADRA1A (0.53) ADRA1AL3MBTL3L3MBTL1MBTD1TP53BP1
Trifluoroacetic Acid SCHEMBL18185643 0.85 ADRA1A (0.47) ADRA1AL3MBTL3L3MBTL1GRM5MBTD1
Trifluoroacetic Acid SCHEMBL18185616 0.85 ADRA1A (0.49) ADRA1AL3MBTL3L3MBTL1MBTD1TP53BP1
Trifluoroacetic Acid SCHEMBL18185595 0.85 CYP2D6 (0.45) ADRA1AL3MBTL3L3MBTL1GRM5KDM4E
SCHEMBL16845176 0.84 ADRA1A (0.53) ADRA1AL3MBTL3L3MBTL1KDM4EKMT2A
SCHEMBL16823817 0.81 GRM5 (0.56) ADRA1AL3MBTL3L3MBTL1GRM5MBTD1

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 1241/4885L3MBTL3 1001/4885L3MBTL1 1286/4885

“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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