Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3202532

COc1cccc2[nH]c(C(=O)N[C@@H]3CCC[C@H](c4nc5ccccc5[nH]4)C3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 2/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
RCE1 Q9Y256 1/20 0.43
SETD2 Q9BYW2 1/20 0.41
HTR2B P41595 1/20 0.41
FLT3 P36888 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40

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
SCHEMBL13490703 0.94 CXCR6 (0.49) CXCR6NPC1POLBRAB9AKMT2A
Trifluoroacetic Acid SCHEMBL3199468 0.86 NPC1 (0.45) CXCR6NPC1RAB9AKMT2AMEN1
Trifluoroacetic Acid SCHEMBL3224483 0.84 MLLT1 (0.47) KMT2ASETD2
Trifluoroacetic Acid SCHEMBL3205981 0.82 LMNA (0.43)
Trifluoroacetic Acid SCHEMBL3226942 0.80 CXCR6 (0.48) CXCR6HTR2B
Trifluoroacetic Acid SCHEMBL3215410 0.80 CXCR6 (0.48) CXCR6HTR2B
Trifluoroacetic Acid SCHEMBL3210802 0.80 RAB9A (0.55) CXCR6NPC1RAB9AKMT2AMEN1
Trifluoroacetic Acid SCHEMBL3210512 0.80 HTR2B (0.43) CXCR6HTR2B
Trifluoroacetic Acid SCHEMBL3210746 0.80 SMN1; SMN2 (0.47) POLBRAB9AKMT2A
SCHEMBL13490706 0.80 SMN1; SMN2 (0.47) CXCR6NPC1RAB9AKMT2AMEN1

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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2010-02-04 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-20100029615-A1 BENZIMIDAZOLE DERIVATIVES ACIN1, HAT1, CCNE1 CXCR6 3847/4885NPC1 3250/4885POLB 3043/4885

“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.