Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1873949

N=C(N)c1cccc(C2=CCNCC2)c1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR2C P28335 5/20 0.53
▸ SIGMAR1 Q99720 1/20 0.48
▸ PRSS1 P07477 4/20 0.43
▸ PRSS2 P07478 3/20 0.43
▸ PRSS3 P35030 3/20 0.43
▸ P2RY14 Q15391 1/20 0.42
▸ QDPR P09417 2/20 0.42
▸ F10 P00742 3/20 0.40
▸ F2 P00734 3/20 0.40
▸ TMPRSS6 Q8IU80 1/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ FTO Q9C0B1 1/20 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
Hydrochloric Acid SCHEMBL1868518 0.88 HTR2C (0.58) HTR2CSIGMAR1PRSS1PRSS2PRSS3
SCHEMBL13406396 0.80 SIGMAR1 (0.62) HTR2CSIGMAR1P2RY14QDPRFTO
Trifluoroacetic Acid SCHEMBL19989664 0.80 SIGMAR1 (0.67) HTR2CSIGMAR1P2RY14QDPRHTR6
Trifluoroacetic Acid SCHEMBL29749858 0.79 QDPR (0.50) HTR2CSIGMAR1P2RY14QDPRFTO
Trifluoroacetic Acid SCHEMBL30745981 0.78 HTR2C (0.54) HTR2CSIGMAR1P2RY14QDPRHTR6
Trifluoroacetic Acid SCHEMBL31227326 0.77 HTR2C (0.53) HTR2CSIGMAR1P2RY14QDPRHTR6
Trifluoroacetic Acid SCHEMBL30182435 0.76 QDPR (0.53) HTR2CSIGMAR1P2RY14QDPRFTO
Trifluoroacetic Acid SCHEMBL1198632 0.74 SIGMAR1 (0.50) HTR2CSIGMAR1P2RY14QDPRFTO
Trifluoroacetic Acid SCHEMBL16228956 0.73 SIGMAR1 (0.51) HTR2CSIGMAR1P2RY14QDPRFTO
Trifluoroacetic Acid SCHEMBL16799644 0.73 HTR2C (0.71) HTR2CSIGMAR1P2RY14QDPRHTR6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947684-B2 anticoagulants; immunomoderators; antiinflammatory agents AVENTIS PHARMACEUTICALS INC. (US) 2011-05-24 — — US disclosed
US-20040220171-A1 1-Aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS INC 2004-11-04 — — US disclosed
EP-1278732-A1 1-AROYL-PIPERIDINYL BENZAMIDINES Aventis Pharmaceuticals Inc. (US) 2003-01-29 — — EP disclosed
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 — — US disclosed
WO-2001081310-A1 1-AROYL-PIPERIDINYL BENZAMIDINES AVENTIS PHARMACEUTICALS INC. (US) 2001-11-01 — — WO 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-20040220171-A1 1-Aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 HTR2C 370/4885SIGMAR1 3170/4885PRSS1 32/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 HTR2C 370/4885SIGMAR1 3170/4885PRSS1 32/4885

“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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