Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6469649

COc1cc2nc(Nc3nc(O)c4cc(OCCNN5CCOCC5)ccc4n3)nc(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 3/20 0.39
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
CASP1 P29466 1/20 0.39
STAT1 P42224 1/20 0.39
RAB9A P51151 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AVPR1B P47901 5/20 0.38
WHR1 P49842 2/20 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
SCHEMBL6469655 0.88 HSD17B10 (0.38) RAF1HSD17B10KDM4EMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL6467993 0.88 RAF1 (0.47) RAF1AVPR1BRET
Trifluoroacetic Acid SCHEMBL6469150 0.86 RET (0.42) RAF1AVPR1BWHR1EHMT2MCHR1
Trifluoroacetic Acid SCHEMBL6467465 0.86 MAPT (0.39) HSD17B10KDM4EMEN1ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL6466263 0.86 MAPT (0.40) RAF1KDM4EMEN1ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL6468678 0.85 HRH3 (0.46) AVPR1BEHMT2RET
Trifluoroacetic Acid SCHEMBL6471240 0.85 RET (0.43) RAF1KDM4EALDH1A1AVPR1BWHR1
Trifluoroacetic Acid SCHEMBL6469209 0.85 RET (0.43) KDM4EAVPR1BEHMT2RET
Trifluoroacetic Acid SCHEMBL6470209 0.85 MAPT (0.39) HSD17B10KDM4EMEN1ALDH1A1HPGD
Trifluoroacetic Acid SCHEMBL6465517 0.85 KDM4E (0.40) KDM4EMEN1ALDH1A1HPGDKMT2A

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 RAF1 2421/4885HSD17B10 2865/4885KDM4E 3225/4885

“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.