Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6108697

CN(c1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCN(c2ccnc(CO)c2)CC1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 16/20 0.45
▸ NPC1 O15118 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL6717550 0.84 F10 (0.45) F10NPC1ALOX15HTTRAB9A
SCHEMBL6607911 0.84 NPC1 (0.48) F10NPC1ALOX15HTTRAB9A
Trifluoroacetic Acid SCHEMBL6108699 0.84 F10 (0.43) F10SMN1; SMN2TDP1
SCHEMBL6109172 0.83 USP30 (0.45) F10NPC1ALOX15HTTRAB9A
SCHEMBL6108431 0.83 F10 (0.45) F10NPC1ALOX15HTTRAB9A
SCHEMBL6107816 0.82 NPC1 (0.49) F10NPC1ALOX15HTTRAB9A
SCHEMBL6107341 0.81 F10 (0.43) F10NPC1ALOX15HTTRAB9A
SCHEMBL6105974 0.78 F10 (0.47) F10
SCHEMBL6108568 0.77 F10 (0.44) F10NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL6108386 0.77 F10 (0.49) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7129245-B2 Anticoagulants which act selectively on factor Xa; fast acting; oral; do not interfere with lysis of blood clots ELI LILLY AND COMPANY (US) 2006-10-31 — — US disclosed
US-20050282862-A1 Aromatic amides BEIGHT DOUGLAS W 2005-12-22 — — US disclosed
EP-1140903-B1 AROMATIC AMIDES LILLY CO ELI (US) 2004-08-04 — — EP disclosed
US-6759414-B2 ANTICOAGULANTS WHICH ACT SELECTIVELY ON FACTOR XA; FAST ACTING; ORAL; DO NOT INTERFERE WITH LYSIS OF BLOOD CLOTS ELI LILLY AND COMPANY 2004-07-06 — — US disclosed
US-20040029874-A1 Aromatic amides BEIGHT DOUGLAS WADE (US) 2004-02-12 — — US disclosed
US-6635657-B1 Pyridine derivatives; anticoagulants ELI LILLY AND COMPANY 2003-10-21 — — 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-20040029874-A1 Aromatic amides F11, F12, F5 F10 12/4885NPC1 1659/4885ALOX15 2156/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 F10 12/4885NPC1 1659/4885ALOX15 2156/4885

“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.

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