Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6468017

COc1cc2nc(Nc3nc(O)c4cc(OCCN5CCOC(CO)C5)ccc4n3)nc(C)c2cc1OC.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.39
EPHA2 P29317 10/20 0.39
KDR P35968 8/20 0.39
EPHB4 P54760 6/20 0.39
ERBB2 P04626 3/20 0.39
CCR4 P51679 1/20 0.38
RAF1 P04049 3/20 0.38
AVPR1B P47901 1/20 0.36
WHR1 P49842 1/20 0.36
EHMT2 Q96KQ7 1/20 0.36
RET P07949 1/20 0.36
KIF5B P33176 1/20 0.36

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
SCHEMBL6468024 0.90 HSD17B10 (0.38) HSD17B10KDM4ETSHREPHA2KDR
Trifluoroacetic Acid SCHEMBL6467099 0.87 RET (0.40) KDM4ERAF1AVPR1BWHR1EHMT2
Trifluoroacetic Acid SCHEMBL6470128 0.86 PDK1 (0.41) KDM4ERAF1AVPR1BWHR1EHMT2
Trifluoroacetic Acid SCHEMBL6469150 0.86 RET (0.42) KDRRAF1AVPR1BWHR1EHMT2
Trifluoroacetic Acid SCHEMBL6469959 0.86 MEN1 (0.43) HSD17B10KDM4EWHR1EHMT2
Trifluoroacetic Acid SCHEMBL6471240 0.86 RET (0.43) KDM4EKDRRAF1AVPR1BWHR1
Trifluoroacetic Acid SCHEMBL6469209 0.86 RET (0.43) KDM4EKDRAVPR1BEHMT2RET
Trifluoroacetic Acid SCHEMBL6469283 0.85 HRH3 (0.39) HSD17B10KDM4ETSHRCCR4WHR1
Trifluoroacetic Acid SCHEMBL6467993 0.85 RAF1 (0.47) KDRRAF1AVPR1BRET
Trifluoroacetic Acid SCHEMBL6470948 0.84 RET (0.42) HSD17B10KDM4EWHR1EHMT2RET

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 HSD17B10 2865/4885KDM4E 3225/4885TSHR 4668/4885

“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.