Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6474887

CC(C)(C)NC(=O)CN1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.54
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
ALDH1A1 P00352 3/20 0.48
CACNA1H O95180 2/20 0.45
SMN1; SMN2 Q16637 4/20 0.44
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
CACNA1I Q9P0X4 2/20 0.38
USP2 O75604 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
CACNA1G O43497 1/20 0.37

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
SCHEMBL20946422 0.91 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
SCHEMBL1547058 0.91 SIGMAR1 (0.63) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
SCHEMBL19640159 0.89 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
Hydrochloric Acid SCHEMBL26129894 0.89 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
Hydrochloric Acid SCHEMBL2009825 0.89 SIGMAR1 (0.61) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
SCHEMBL22883481 0.81 SIGMAR1 (0.52) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
SCHEMBL22883386 0.79 SIGMAR1 (0.51) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
Trifluoroacetic Acid SCHEMBL6897031 0.79 SIGMAR1 (0.44) SIGMAR1CHRM5CHRM3HRH4
SCHEMBL20661394 0.76 SIGMAR1 (0.48) SIGMAR1CHRM5CHRM3ALDH1A1CACNA1H
Trifluoroacetic Acid SCHEMBL5269618 0.76 SIGMAR1 (0.45) SIGMAR1CHRM5CHRM3ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962911-B2 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2005-11-08 US disclosed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed
US-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2003-09-11 US disclosed
EP-1257553-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK Chemicals Co., Ltd. (KR) 2002-11-20 EP disclosed
WO-2001060825-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO., LTD. (KR) 2001-08-23 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-20030171361-A1 Pyrrolopyrimidinone derivatives, process of preparation and use CYP2C19, DHPS, SDHA SIGMAR1 4345/4885CHRM5 4150/4885CHRM3 4351/4885

“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.