Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3213348

Nc1cccnc1C=O.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RRM1 P23921 1/20 0.40
RRM2 P31350 1/20 0.40
RRM2B Q7LG56 1/20 0.40
CISD1 Q9NZ45 1/20 0.40
TLR7 Q9NYK1 1/20 0.39
NAPRT Q6XQN6 2/20 0.39
L3MBTL1 Q9Y468 6/20 0.38
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
BLM P54132 1/20 0.36
AGER Q15109 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
UBE2N P61088 1/20 0.36
CDK5 Q00535 1/20 0.35

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
Urea SCHEMBL28153660 0.84 RRM2 (0.49) RRM1RRM2RRM2BCISD1NAPRT
SCHEMBL1501696 0.84
Hydrogen Sulfide SCHEMBL28281811 0.82 RRM1 (0.45) HTTRRM1RRM2RRM2BCISD1
Urea SCHEMBL21612150 0.81 RRM2 (0.46) RRM1RRM2RRM2BCISD1NAPRT
Trifluoroacetic Acid SCHEMBL27758920 0.80 SMN1; SMN2 (0.49) HTTHSD17B10TLR7NAPRTL3MBTL1
Urea SCHEMBL21612151 0.80 RRM2 (0.45) RRM1RRM2RRM2BCISD1NAPRT
Thiourea SCHEMBL28502228 0.80 RRM2 (0.55) RRM1RRM2RRM2BCISD1NAPRT
SCHEMBL3539220 0.75 RRM1 (0.43) RRM1RRM2RRM2BCISD1NAPRT
SCHEMBL3539217 0.75 RRM1 (0.43) RRM1RRM2RRM2BCISD1NAPRT
SCHEMBL29113020 0.74 RRM2 (0.54) RRM1RRM2RRM2BCISD1NAPRT

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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS AbbVie Deutschland GmbH & Co. KG (DE) 2014-08-07 US disclosed
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBVIE DEUTSCHLAND GMBH & CO KG (DE) 2010-02-18 US disclosed
EP-1917245-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS Abbott GmbH & Co. KG (DE) 2008-05-07 EP disclosed
WO-2007022946-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS ABBOTT GMBH & CO. KG (DE) 2007-03-01 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-20140221371-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HTT 75/4885HSD17B10 2621/4885RRM1 3220/4885
US-20100041698-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS BINDING PARTNERS FOR 5-HT5 RECEPTORS HTR5A, HTR1A, HTR2C HTT 75/4885HSD17B10 2621/4885RRM1 3220/4885

“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.