Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1873263

CC(C)(C)OC(=O)N1CC=C(c2ccc3ccnc(N)c3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TNK2 Q07912 2/20 0.51
▸ SOS1 Q07889 1/20 0.45
▸ BTK Q06187 1/20 0.45
▸ NAMPT P43490 1/20 0.44
▸ CCNT1 O60563 1/20 0.44
▸ CDK9 P50750 1/20 0.44
▸ ATR Q13535 2/20 0.43
▸ GRM1 Q13255 6/20 0.43
▸ GRM5 P41594 5/20 0.43
▸ CYP11B2 P19099 1/20 0.43
▸ CDK7 P50613 1/20 0.43
▸ CDK13 Q14004 1/20 0.43
▸ CDK12 Q9NYV4 1/20 0.43
▸ WNT3A P56704 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ LIPC P11150 1/20 0.42
▸ LIPG Q9Y5X9 1/20 0.42
▸ JAK1 P23458 1/20 0.42

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 SCHEMBL7097586 0.95 TNK2 (0.48) TNK2SOS1BTKNAMPTCCNT1
SCHEMBL1868160 0.83 NAMPT (0.48) TNK2SOS1NAMPTCCNT1CDK9
Trifluoroacetic Acid SCHEMBL1878173 0.81 NAMPT (0.42) TNK2NAMPTCCNT1CDK9
Trifluoroacetic Acid SCHEMBL1872651 0.77 RAD52 (0.37) TNK2NAMPTCCNT1CDK9JAK1
SCHEMBL17478211 0.77 GRM1 (0.52) TNK2BTKNAMPTCCNT1CDK9
SCHEMBL30074970 0.76 CNR1 (0.55) TNK2SOS1NAMPTCCNT1CDK9
SCHEMBL22004550 0.76 NAMPT (0.48) TNK2SOS1BTKNAMPTATR
SCHEMBL31227073 0.75 WNT3A (0.61) TNK2NAMPTCCNT1CDK9GRM1
SCHEMBL171730 0.75 WNT3A (0.61) TNK2NAMPTCCNT1CDK9GRM1
SCHEMBL15157008 0.75 NAMPT (0.56) TNK2BTKNAMPTGRM1GRM5

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 3 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
US-20020045613-A1 1-aroyl-piperidinyl benzamidines AVENTIS PHARMACEUTICALS PRODUCTS INC. 2002-04-18 — — 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 (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 TNK2 1858/4885SOS1 4516/4885BTK 912/4885
US-20020045613-A1 1-aroyl-piperidinyl benzamidines TPSAB1, TPSB2, CMA1 TNK2 1858/4885SOS1 4516/4885BTK 912/4885

“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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