Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6950609

CNCc1nc2ccccc2[nH]1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.71

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.71
CYP1A2 P05177 1/20 0.56
CYP2C9 P11712 1/20 0.56
CHRM1 P11229 1/20 0.56
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
ALDH1A1 P00352 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HSD17B10 Q99714 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
HTT P42858 1/20 0.51
GAA P10253 1/20 0.50
KMT2A Q03164 1/20 0.50
TSHR P16473 1/20 0.49
MAPK10 P53779 1/20 0.49
DDAH1 O94760 1/20 0.49
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48

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 SCHEMBL8325860 0.89 CHRM1 (0.58) PKMCYP1A2CYP2C9CHRM1RAB9A
SCHEMBL31298007 0.85 PKM (0.96) PKMRAB9APOLBSMN1; SMN2ALDH1A1
SCHEMBL336412 0.85 PKM (0.96) PKMRAB9APOLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5973175 0.84 PKM (1.00) PKMRAB9APOLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL27041735 0.84 PKM (1.00) PKMRAB9APOLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL5205174 0.84 PKM (1.00) PKMRAB9APOLBSMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL30689215 0.84 PKM (1.00) PKMRAB9APOLBSMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL6951531 0.81 ALDH1A1 (0.47) PKMRAB9ASMN1; SMN2ALDH1A1KDM4E
Trifluoroacetic Acid SCHEMBL8327754 0.78 CYP1A2 (0.48) PKMCYP1A2CYP2C9CHRM1RAB9A
Trifluoroacetic Acid SCHEMBL9007642 0.78 POLB (0.47) PKMCYP1A2CYP2C9CHRM1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
EP-0767792-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2002-11-20 EP disclosed
US-20020032187-A1 Method for stimulating bone formation SMITHKLINE BEECHAM CORPORATION 2002-03-14 US disclosed
US-5977101-A Benzimidazoles/Imidazoles Linked to a Fibrinogen Receptor Antagonist Template Having Vitronectin Receptor Antagonist Activity SMITHKLINE BEECHAM CORPORATION (US) 1999-11-02 US disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
EP-0869787-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 1999-03-24 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
EP-0767792-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-04-16 EP disclosed
WO-1996000730-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1996-01-11 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-20020032187-A1 Method for stimulating bone formation BMP2, BMP4, SOST PKM 4426/4885CYP1A2 4457/4885CYP2C9 4808/4885

“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.