Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5379943

NCCCNc1nc2nnccc2[nH]1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.44
▸ HRH3 Q9Y5N1 3/20 0.44
▸ ADORA2A P29274 2/20 0.36
▸ KCNH2 Q12809 2/20 0.36
▸ KDM4C Q9H3R0 1/20 0.35
▸ PIM1 P11309 1/20 0.34
▸ ADORA1 P30542 1/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ BCHE P06276 2/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ IKBKB O14920 1/20 0.32
▸ CDK11B P21127 1/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ CDK13 Q14004 1/20 0.32
▸ MAP3K19 Q56UN5 1/20 0.32
▸ MYLK4 Q86YV6 1/20 0.32
▸ CDK11A Q9UQ88 1/20 0.32
▸ APAF1 O14727 1/20 0.32
▸ RAD52 P43351 1/20 0.32
▸ CASP7 P55210 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
SCHEMBL6034750 0.88 PIM1 (0.41) HRH3PIM1RIPK1BCHETRPC3
Trifluoroacetic Acid SCHEMBL5385369 0.74 HRH4 (0.41) HRH4HRH3ADORA2AKCNH2PIM1
Trifluoroacetic Acid SCHEMBL5388541 0.74 S1PR4 (0.39) HRH4HRH3
SCHEMBL5389979 0.73 BCHE (0.55) PIM1BCHE
SCHEMBL5385517 0.70 NUDT1 (0.49) HRH3PIM1BCHESLC2A1HSD17B10
Trifluoroacetic Acid SCHEMBL30870503 0.65 L3MBTL1 (0.31) L3MBTL1
SCHEMBL5382890 0.65 BCHE (0.48) HRH3KDM4CPIM1RIPK1BCHE
Trifluoroacetic Acid SCHEMBL31651114 0.64 HRH3 (0.58) HRH4HRH3ADORA2AKDM4CPIM1
SCHEMBL5388762 0.63 PIM1 (0.45) HRH3KDM4CPIM1CHEK1
SCHEMBL6034415 0.62 BCHE (0.72) KCNH2BCHESLC2A1TRPC3TRPC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2007-09-13 — — US disclosed
US-7220757-B2 Compositions and methods for topical administration of 2-NH-heteroarylimidazoles REPLIDYNE, INC. (US) 2007-05-22 — — US disclosed
US-20060128735-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. (US) 2006-06-15 — — US disclosed
US-7030137-B2 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. (US) 2006-04-18 — — US disclosed
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity BERGE JOHN 2006-01-19 — — US disclosed
EP-1581220-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY Replidyne, Inc. (US) 2005-10-05 — — EP disclosed
US-6943175-B2 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. (US) 2005-09-13 — — US disclosed
US-20050009833-A1 Substituted thiophenes with antibacterial activity REPLIDYNE, INC. 2005-01-13 — — US disclosed
US-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity REPLIDYNE, INC. 2004-07-29 — — US disclosed
WO-2004052288-A2 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY REPLIDYNE, INC. (US) 2004-06-24 — — 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 (5 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-20040147548-A1 2-NH-heteroarylimidazoles with antibacterial activity NSUN3, TRMT1, NOP2 HRH4 2734/4885HRH3 2555/4885ADORA2A 3493/4885
US-20050009833-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 HRH4 1977/4885HRH3 2173/4885ADORA2A 1890/4885
US-20060128735-A1 Substituted thiophenes with antibacterial activity TST, MTR, NSUN3 HRH4 1977/4885HRH3 2173/4885ADORA2A 1890/4885
US-20070213362-A1 2-NH-HETEROARYLIMIDAZOLES WITH ANTIBACTERIAL ACTIVITY MET, ASNS, MRPS22 HRH4 1366/4885HRH3 792/4885ADORA2A 2626/4885
US-20060014748-A1 2-NH-heteroarylimidazoles with antibacterial activity TRMT1, NSUN3, NOP2 HRH4 2818/4885HRH3 2683/4885ADORA2A 3498/4885

“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.

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