Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL6108176

O=C(Nc1ccc(Cl)cn1)c1c(Cl)cccc1NC(=O)C1CCNCC1.O=C(O)C(F)(F)F

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 3/20 0.51
▸ CDK4 P11802 2/20 0.51
▸ CDK5 Q00535 2/20 0.51
▸ BRD4 O60885 1/20 0.47
▸ F10 P00742 3/20 0.46
▸ JAK2 O60674 3/20 0.43
▸ TYK2 P29597 3/20 0.43
▸ JAK1 P23458 2/20 0.43
▸ CDK9 P50750 2/20 0.43
▸ JAK3 P52333 1/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ MAPT P10636 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ LMNA P02545 1/20 0.42

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 SCHEMBL6107231 0.93 BRD4 (0.47) CDK2CDK4CDK5BRD4F10
Trifluoroacetic Acid SCHEMBL6107727 0.89 F10 (0.54) F10RAB9ATSHRSMN1; SMN2NPC1
Trifluoroacetic Acid SCHEMBL6769487 0.88 F10 (0.47) CDK2CDK4CDK5BRD4F10
Trifluoroacetic Acid SCHEMBL6107517 0.86 SMN1; SMN2 (0.50) CDK2CDK4CDK5F10RAB9A
Trifluoroacetic Acid SCHEMBL6107944 0.86 F10 (0.55) BRD4F10TSHRSMN1; SMN2LMNA
Trifluoroacetic Acid SCHEMBL6107641 0.85 F10 (0.64) F10
Trifluoroacetic Acid SCHEMBL6105845 0.83 F10 (0.50) CDK2CDK4CDK5BRD4F10
Trifluoroacetic Acid SCHEMBL6774077 0.83 F10 (0.52) F10TSHRSMN1; SMN2MAPTLMNA
Trifluoroacetic Acid SCHEMBL6108073 0.83 F10 (0.56) BRD4F10RAB9AALDH1A1TSHR
Trifluoroacetic Acid SCHEMBL6106676 0.82 F10 (0.57) F10RAB9ATSHRSMN1; SMN2TP53

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 8 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
EP-1140903-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2001-10-10 — — EP disclosed
WO-2000039118-A1 AROMATIC AMIDES ELI LILLY AND COMPANY (US) 2000-07-06 — — 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 (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 CDK2 3011/4885CDK4 4380/4885CDK5 4059/4885
US-20050282862-A1 Aromatic amides F11, F12, F5 CDK2 3011/4885CDK4 4380/4885CDK5 4059/4885

“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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