Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6485494

CN(C)CCC1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.39
ITGA2B P08514 6/20 0.39
F2R P25116 1/20 0.38
HTR5A P47898 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
GABRA5 P31644 3/20 0.37
GABRB2 P47870 3/20 0.37
SLC6A1 P30531 2/20 0.37
SLC6A12 P48065 2/20 0.37
SLC6A11 P48066 2/20 0.37
SLC6A13 Q9NSD5 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRR1 P24046 1/20 0.37
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34

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
Trifluoroacetic Acid SCHEMBL6485341 0.85 GABRA5 (0.38) ITGB3ITGA2BF2RGNAI3GNAO1
SCHEMBL249671 0.84 SIGMAR1 (0.42) ITGB3ITGA2BF2RGNAI3GNAO1
Hydrochloric Acid SCHEMBL28238994 0.82 SIGMAR1 (0.41) ITGB3ITGA2BF2RGNAI3GNAO1
Hydrochloric Acid SCHEMBL8690390 0.82 SIGMAR1 (0.41) ITGB3ITGA2BF2RGNAI3GNAO1
Trifluoroacetic Acid SCHEMBL2997803 0.79 GABRA5 (0.40) ITGB3ITGA2BF2RGABRA5GABRB2
Trifluoroacetic Acid SCHEMBL4010515 0.78 SLC6A2 (0.33) HTR5AGABRA5GABRB2GABRA1GABRA4
Trifluoroacetic Acid SCHEMBL3008294 0.78 USP30 (0.38) ITGB3ITGA2BF2RGABRA5GABRB2
Trifluoroacetic Acid SCHEMBL23044797 0.77 GABRA5 (0.40) ITGB3ITGA2BGNAI3GNAO1GNAI1
Trifluoroacetic Acid SCHEMBL13254840 0.77 GABRA5 (0.40) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL4484354 0.77 ITGB3 (0.46) ITGB3ITGA2BF2RGNAI3GNAO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1312153-C Pyrrolopyrimidinone derivatives, process for their preparation and their use SK CHEMICALS CO LTD (KR) 2007-04-25 CN disclosed
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
CN-1422271-A Pyrrolopyrimidinone derivatives, process for their preparation and their use SK CHEMICALS CO LTD (KR) 2003-06-04 CN 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 ITGB3 4263/4885ITGA2B 3854/4885F2R 2369/4885

“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.