Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3588855

O=C(O)C(F)(F)F.O=C(O)Cn1ccc2cccnc21

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
KMT2A Q03164 1/20 0.48
PARP1 P09874 1/20 0.46
ENPP1 P22413 1/20 0.42
DAO P14920 1/20 0.41
SLC22A12 Q96S37 6/20 0.41
PPARD Q03181 2/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
CYP2C19 P33261 1/20 0.40
P2RX7 Q99572 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
PPARA Q07869 1/20 0.38
UBE2N P61088 1/20 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
SCHEMBL114693 0.91 MTNR1A (0.57) MTNR1AKMT2APARP1ENPP1DAO
SCHEMBL31726590 0.78 PARP1 (0.59) MTNR1APARP1ENPP1DAOSLC22A12
SCHEMBL13663043 0.78 PARP1 (0.59) MTNR1APARP1ENPP1DAOSLC22A12
SCHEMBL2127227 0.77 MTNR1A (0.62) MTNR1APARP1ENPP1DAOSLC22A12
SCHEMBL15485039 0.75 MTNR1A (0.53) MTNR1AKMT2APARP1SLC22A12
SCHEMBL28922916 0.74 MTNR1A (0.59) MTNR1AKMT2APARP1ENPP1DAO
SCHEMBL7824667 0.74 MTNR1A (0.59) MTNR1APARP1ENPP1DAOSLC22A12
SCHEMBL28184833 0.74 MTNR1A (0.58) MTNR1APARP1DAOSLC22A12L3MBTL1
SCHEMBL3592491 0.74 MTNR1A (0.52) MTNR1AKMT2APARP1DAOSLC22A12
SCHEMBL15491685 0.72 MTNR1A (0.53) MTNR1APARP1DAOSLC22A12L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators MERCK SHARP & DOHME CORP. 2010-11-11 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 (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-20100286191-A1 2-Arylthiazole Derivatives as CXCR3 Receptor Modulators CXCR3, CXCR1, CXCR2 MTNR1A 583/4885KMT2A 3866/4885PARP1 2961/4885

“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.