Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4372079

CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)CO)C(C)C)C(C)(C)C)C(C)(C)c1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TUBB1 Q9H4B7 2/20 0.60
MMP2 P08253 8/20 0.33
ADAM17 P78536 5/20 0.33
MMP3 P08254 4/20 0.33
MMP13 P45452 2/20 0.33
MMP1 P03956 2/20 0.33
TNF P01375 1/20 0.33
STAT6 P42226 2/20 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 SCHEMBL4372087 1.00 TUBB1 (0.60) TUBB1MMP2ADAM17MMP3MMP13
SCHEMBL88707 0.96 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
SCHEMBL58652 0.96 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
SCHEMBL14233306 0.96 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
SCHEMBL4862472 0.96 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
SCHEMBL58246 0.96 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
SCHEMBL4372660 0.96 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
Taltobulin SCHEMBL30483111 0.90 TUBB1 (0.74) TUBB1MMP2ADAM17MMP3MMP13
SCHEMBL13682456 0.89 TUBB1 (0.64) TUBB1MMP2ADAM17MMP3MMP1
SCHEMBL6671688 0.89 TUBB1 (0.58) TUBB1MMP2ADAM17MMP3MMP13

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-7626023-B2 Compounds for treating tumors WYETH (US) 2009-12-01 US disclosed
US-20080221181-A1 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2008-09-11 US disclosed
US-7390910-B2 Compounds for treating tumors WYETH (US) 2008-06-24 US disclosed
WO-2005016958-A2 COMPOUNDS FOR TREATING TUMORS WYETH HOLDINGS CORPORATION (US) 2005-02-24 WO disclosed
US-20050037977-A1 Compounds for treating tumors WYETH HOLDINGS CORPORATION (US) 2005-02-17 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-20080221181-A1 COMPOUNDS FOR TREATING TUMORS RB1, MRPL9, BCOR TUBB1 588/4885MMP2 2521/4885ADAM17 4535/4885
US-20050037977-A1 Compounds for treating tumors RB1, MRPL9, BCOR TUBB1 588/4885MMP2 2521/4885ADAM17 4535/4885

“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.