Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1295359

NCC(=O)CCc1cc(F)cc(C(F)(F)F)c1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.41
▸ RXRB P28702 1/20 0.41
▸ RXRG P48443 1/20 0.41
▸ FFAR4 Q5NUL3 3/20 0.38
▸ TACR1 P25103 6/20 0.37
▸ SLC6A4 P31645 1/20 0.37
▸ THRA P10827 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ FFAR1 O14842 4/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ VNN1 O95497 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ CYP3A4 P08684 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
SCHEMBL4660533 0.94 RXRA (0.41) RXRARXRBRXRGFFAR4TACR1
SCHEMBL27490323 0.85 RXRA (0.45) RXRARXRBRXRGFFAR4TACR1
Trifluoroacetic Acid SCHEMBL1296074 0.84 AOC2 (0.49) RXRARXRBRXRGFFAR4TACR1
Trifluoroacetic Acid SCHEMBL1295816 0.84 AOC2 (0.49) RXRARXRBRXRGFFAR4TACR1
Trifluoroacetic Acid SCHEMBL1295821 0.84 AOC2 (0.49) RXRARXRBRXRGFFAR4TACR1
SCHEMBL17310946 0.84 RXRA (0.51) RXRARXRBRXRGFFAR4TACR1
Trifluoroacetic Acid SCHEMBL1295071 0.83 RXRA (0.37) RXRARXRBRXRGFFAR4TACR1
Trifluoroacetic Acid SCHEMBL1295073 0.83 RXRA (0.37) RXRARXRBRXRGFFAR4TACR1
Trifluoroacetic Acid SCHEMBL30151168 0.80 CYP3A4 (0.41) RXRARXRBRXRGFFAR4TACR1
SCHEMBL45135 0.79 RXRA (0.43) RXRARXRBRXRGFFAR4TACR1

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-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2011-11-03 — — US disclosed
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES FASTRACK PHARMACEUTICALS, INC. 2009-08-13 — — US disclosed
EP-2004166-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2008-12-24 — — EP disclosed
US-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases LA JOLLA PHARMACEUTICAL COMPANY 2007-12-20 — — US disclosed
WO-2007120528-A2 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES LA JOLLA PHARMACEUTICAL COMPANY (US) 2007-10-25 — — 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 (3 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-20070293548-A1 Inhibitors of semicarbazide-sensitive amine oxidase (SSAO) and VAP-1 mediated adhesion useful for treatment and prevention of diseases VCAM1, AOC3, AOC2 RXRA 3399/4885RXRB 3043/4885RXRG 3463/4885
US-20110269811-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 RXRA 3399/4885RXRB 3043/4885RXRG 3463/4885
US-20090203764-A1 INHIBITORS OF SEMICARBAZIDE-SENSITIVE AMINE OXIDASE (SSAO) AND VAP-1 MEDIATED ADHESION USEFUL FOR TREATMENT AND PREVENTION OF DISEASES VCAM1, AOC3, AOC2 RXRA 3399/4885RXRB 3043/4885RXRG 3463/4885

“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