Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL5385369

NCCCNc1nc2cscc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.41
▸ HRH3 Q9Y5N1 3/20 0.41
▸ ADORA2A P29274 2/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ BCHE P06276 2/20 0.36
▸ PIM1 P11309 2/20 0.35
▸ TRPC3 Q13507 1/20 0.35
▸ TRPC4 Q9UBN4 1/20 0.35
▸ TRPC5 Q9UL62 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ ADORA1 P30542 1/20 0.34
▸ MYC P01106 1/20 0.33
▸ RIPK1 Q13546 3/20 0.33
▸ CCNT1 O60563 1/20 0.32
▸ CDK9 P50750 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CACNA1B Q00975 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
Trifluoroacetic Acid SCHEMBL5379943 0.74 HRH4 (0.44) HRH4HRH3ADORA2AKCNH2BCHE
SCHEMBL13804704 0.68 PIM1 (0.43) BCHEPIM1TRPC3TRPC4TRPC5
SCHEMBL6034415 0.67 BCHE (0.72) KCNH2BCHETRPC3TRPC4TRPC5
SCHEMBL5394585 0.64 CHEK1 (0.50) BCHEPIM1TRPC3TRPC4TRPC5
SCHEMBL5382890 0.64 BCHE (0.48) HRH3BCHEPIM1TRPC3TRPC4
Trifluoroacetic Acid SCHEMBL2953478 0.63 HDAC11 (0.43) HRH4HRH3ALDH1A1
SCHEMBL4640893 0.63 BCHE (0.70) KCNH2BCHETRPC3TRPC4TRPC5
SCHEMBL18934416 0.63 KDM4E (0.70) BCHETRPC3TRPC4TRPC5ALDH1A1
SCHEMBL17513341 0.62 PIM1 (0.42) HRH3KCNH2BCHEPIM1TRPC3
SCHEMBL6439777 0.62 BCHE (0.68) KCNH2BCHETRPC3TRPC4TRPC5

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 8 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
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

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.

Send feedback