Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6205958

CCCCCc1ccc(-c2ccc(S(=O)(=O)C3(C(=O)O)CCOCC3)cn2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.46
NPC1 O15118 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
NFKB1 P19838 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
MMP13 P45452 5/20 0.43
MMP9 P14780 4/20 0.43
MMP1 P03956 2/20 0.43
ADAM17 P78536 1/20 0.43
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HPGD P15428 2/20 0.43
CASP3 P42574 2/20 0.43
SENP8 Q96LD8 2/20 0.43
SENP7 Q9BQF6 2/20 0.43
SENP6 Q9GZR1 2/20 0.43
MAPT P10636 3/20 0.41
S1PR4 O95977 3/20 0.41
S1PR1 P21453 3/20 0.41

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
SCHEMBL6251227 0.94 RAB9A (0.51) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6205960 0.88 MMP13 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6697955 0.86 MMP13 (0.60) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
Hydrochloric Acid SCHEMBL6206733 0.85 MMP13 (0.59) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6231419 0.85 MMP2 (0.41) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6206622 0.85 MMP13 (0.45) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL6208878 0.84 MMP2 (0.40) MMP13MMP9MMP1ADAM17MMP2
SCHEMBL6206625 0.83 RAB9A (0.46) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
SCHEMBL5908645 0.81 MMP13 (0.43) RAB9ANPC1SMN1; SMN2NFKB1NFKB2
Trifluoroacetic Acid SCHEMBL6206242 0.81 DGAT1 (0.49) MMP13MMP9MMP1ADAM17MMP2

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
EP-1565459-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS Pharmacia Corporation (US) 2005-08-24 EP disclosed
US-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors PHARMACIA CORPORATION 2004-07-22 US disclosed
WO-2004048368-A2 HETEROARYLSULFONYLMETHYL HYDROXAMIC ACIDS AND AMIDES AND THEIR USE AS PROTEASE INHIBITORS PHARMACIA CORPORATION (US) 2004-06-10 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-20040142979-A1 Heteroarylsulfonylmethyl hydroxamic acids and amides and their use as protease inhibitors MMP3, MMP13, MMP10 RAB9A 3999/4885NPC1 3473/4885SMN1; SMN2 2960/4885

“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.