Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5767772

O=C(O)C(F)(F)F.c1cn2c(n1)CNCC2

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.38
RAD52 P43351 1/20 0.37
UBE2N P61088 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
P2RX7 Q99572 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
PKM P14618 1/20 0.35
MGLL Q99685 4/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC1 Q13547 2/20 0.33
SCD O00767 1/20 0.32
SCD5 Q86SK9 1/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32

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
SCHEMBL109208 0.84
Hydrochloric Acid SCHEMBL20601766 0.82 KDM4E (0.38) PDCD1CD274
Hydrochloric Acid SCHEMBL3353160 0.82 KDM4E (0.38) PDCD1CD274
Trifluoroacetic Acid SCHEMBL29693734 0.77 HRH4 (0.36) HRH4RAD52UBE2NL3MBTL1HRH3
SCHEMBL4068518 0.74 CHRNB2 (0.32)
Trifluoroacetic Acid SCHEMBL5767649 0.71 PKM (0.35) HRH4RAD52UBE2NL3MBTL1HRH3
Trifluoroacetic Acid SCHEMBL26645028 0.71 HRH4 (0.38) HRH4RAD52UBE2NL3MBTL1HRH3
Trifluoroacetic Acid SCHEMBL25429290 0.69 P2RX7 (0.47) HRH4P2RX7HRH3SCDSCD5
SCHEMBL4073713 0.69 HRH1 (0.38)
2-Piperazin-1-Yl-Pyrimidine SCHEMBL26600776 0.68 KDM4E (0.66) HRH4RAD52UBE2NL3MBTL1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1286967-B1 CYCLOHEXANE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS MERCK SHARP & DOHME (GB) 2006-09-27 EP disclosed
US-7105507-B2 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LIMITED (GB) 2006-09-12 US disclosed
US-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents MERCK SHARP & DOHME LTD. (GB) 2003-12-25 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-20030236250-A1 Cyclohexane derivatives and their use as therapeutic agents CNR2, CNR1, HTR1A HRH4 60/4885RAD52 1303/4885UBE2N 3952/4885

“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.