Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2926073

NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)N1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.44

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP2 P11137 13/20 0.44
PTGS2 P35354 1/20 0.44
USP2 O75604 1/20 0.43
MAPT P10636 1/20 0.40
TDO2 P48775 1/20 0.38
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37
HRH4 Q9H3N8 1/20 0.36

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
SCHEMBL2923342 0.93 PTGS2 (0.49) MAP2PTGS2USP2MAPTHRH4
SCHEMBL2928734 0.84 MAP2 (0.51) MAP2PTGS2
SCHEMBL2927238 0.84 MAP2 (0.54) MAP2PTGS2
SCHEMBL2923480 0.83 MAP2 (0.48) MAP2PTGS2MAPT
SCHEMBL2924539 0.83 MAP2 (0.53) MAP2PTGS2
SCHEMBL3611987 0.82 MAP2 (0.47) MAP2
SCHEMBL2927126 0.81 MAP2 (0.59) MAP2
SCHEMBL2926071 0.80 MAP2 (0.47) MAP2PTGS2
SCHEMBL2926068 0.80 MAP2 (0.47) MAP2PTGS2
SCHEMBL3609940 0.80 MAP2 (0.51) MAP2PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534695-B1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME (US) 2010-09-29 EP disclosed
US-20090186871-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME CORP. 2009-07-23 US disclosed
US-7560546-B2 Tyrosine kinase inhibitors MERCK & CO., INC. (US) 2009-07-14 US disclosed
US-20050261496-A1 Tyrosine kinase inhibitors MERCK SHARP & DOHME LLC 2005-11-24 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 (2 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-20050261496-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885PTGS2 2169/4885USP2 2116/4885
US-20090186871-A1 Tyrosine kinase inhibitors ABL1, JAK2, ERBB2 MAP2 732/4885PTGS2 2169/4885USP2 2116/4885

“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.