Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6833136

CN1CCN(CC#Cc2ccc3ncn(Cc4ccc(C(=O)O)cc4)c(=O)c3c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.76

Full drug profile on Sugi Atlas →

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 18/20 0.76
PDPK1 O15530 2/20 0.43

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
SCHEMBL6835785 0.95 MMP13 (0.83) MMP13PDPK1
Trifluoroacetic Acid SCHEMBL6830140 0.92 MMP13 (0.90) MMP13
Trifluoroacetic Acid SCHEMBL6830520 0.90 MMP13 (0.90) MMP13
SCHEMBL6833138 0.89 MMP13 (0.64) MMP13PDPK1
Trifluoroacetic Acid SCHEMBL6833117 0.89 MMP13 (0.71) MMP13
SCHEMBL6834151 0.86 MMP13 (1.00) MMP13
SCHEMBL6833710 0.85 MMP13 (1.00) MMP13
SCHEMBL6835871 0.83 MMP13 (0.77) MMP13
SCHEMBL6830143 0.81 MMP13 (0.76) MMP13
SCHEMBL6830523 0.79 MMP13 (0.77) MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US claimed
US-6747147-B2 INHIBITORS OF TYPE-13 MATRIX METTALOPROTEASE. RHEUMATOID ARTHRITIS OR OSTEOARTHRITIS, AS WELL AS CERTAIN PROLIFERATIVE CONDITIONS SUCH AS CANCERS, PARTICULARLY HUMAN BREAST CANCER WARNER-LAMBERT COMPANY 2004-06-08 US disclosed
US-20030220355-A1 Oxo-azabicyclic compounds GAUDILLIERE BERNARD (FR) 2003-11-27 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 (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-20030220355-A1 Oxo-azabicyclic compounds MMP13, CYP2A13, CA13 MMP13 1/4885PDPK1 4624/4885

“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.