Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6470355

COc1cc(OC)c2nc(Nc3nc(O)c4cccc(F)c4n3)nc(C)c2c1.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.35
▸ MEN1 O00255 3/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TACR3 P29371 1/20 0.34
▸ GAA P10253 2/20 0.34
▸ POLB P06746 2/20 0.34
▸ ADORA2A P29274 4/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ TSHR P16473 1/20 0.33

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 SCHEMBL6470553 0.92 GAA (0.42) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6468675 0.87 TACR3 (0.38) KMT2AMAPK1MAPTTACR3GAA
Trifluoroacetic Acid SCHEMBL6467189 0.86 ABCG2 (0.41) KMT2AMEN1SMN1; SMN2ALDH1A1TP53
Trifluoroacetic Acid SCHEMBL6465698 0.85 ADORA2A (0.39) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL6470356 0.85 POLB (0.33) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6469971 0.85 KMT2A (0.39) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6467073 0.85 KMT2A (0.39) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL6469112 0.84 JUND (0.43) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6469776 0.84 KMT2A (0.35) KMT2AMEN1SMN1; SMN2ALDH1A1NPC1
Trifluoroacetic Acid SCHEMBL6470460 0.84 KMT2A (0.35) KMT2AMEN1MAPK1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 — — US claimed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 — — WO claimed
US-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections REPLIDYNE, INC. 2005-06-09 — — US disclosed
WO-2005030131-A2 BIS-QUINAZOLINE COMPOUNDS FOR THE TREATMENT OF BACTERIAL INFECTIONS REPLIDYNE, INC (US) 2005-04-07 — — 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 (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-20050124562-A1 Bis-quinazoline compounds for the treatment of bacterial infections POLI, POLK, POLB KMT2A 2156/4885MEN1 4218/4885MAPK1 4052/4885

“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.