Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL3570071

COC(=O)c1cccc2nc(NC3CCNCC3)oc12.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KA2 Q15349 2/20 0.41
HRH4 Q9H3N8 2/20 0.41
HRH3 Q9Y5N1 2/20 0.41
ELANE P08246 2/20 0.41
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
RIPK1 Q13546 1/20 0.39
CYP1A2 P05177 3/20 0.38
ALDH1A1 P00352 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CACNA1B Q00975 1/20 0.38

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
SCHEMBL13543060 0.93 RPS6KA2 (0.44) RPS6KA2ELANEKDM4EMEN1KMT2A
SCHEMBL3577759 0.83 ELANE (0.49) RPS6KA2ELANEKDM4ECYP1A2ALDH1A1
Trifluoroacetic Acid SCHEMBL1121645 0.78 HRH4 (0.42) RPS6KA2HRH4HRH3ELANEKDM4E
SCHEMBL1121563 0.76 RIPK1 (0.48) KDM4ERIPK1ALDH1A1CYP2C19CDK1
SCHEMBL3578226 0.76 ALDH1A1 (0.49) KDM4EALDH1A1MAPK1CDK2
SCHEMBL1121458 0.75 RPS6KA2 (0.57) RPS6KA2ELANECYP1A2ALDH1A1CLK4
SCHEMBL3577601 0.74 KDM4E (0.50) KDM4EMEN1KMT2AALDH1A1LMNA
SCHEMBL1121766 0.74 RPS6KA2 (0.45) RPS6KA2ELANEKDM4ECYP1A2ALDH1A1
SCHEMBL4593453 0.74 ELANE (0.50) RPS6KA2ELANEMEN1KMT2ACYP1A2
Bromide SCHEMBL1121690 0.73 ELANE (0.49) RPS6KA2ELANEMEN1KMT2ACYP1A2

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-7645753-B2 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-01-12 US disclosed
EP-1858901-B1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS HOFFMANN LA ROCHE (CH) 2008-11-05 EP disclosed
EP-1858901-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2007-11-28 EP disclosed
WO-2006094682-A1 BENZOTHIAZOLE, THIAZOLOPYRIDINE, BENZOOXAZOLE AND OXAZOLOPYRIDINE DERIVATIVES AS ANTIDIABETIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 WO disclosed
US-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives F. HOFFMANN-LA ROCHE AG (CH) 2006-09-14 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-20060205718-A1 Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives SSTR5, SSTR1, SSTR2 RPS6KA2 1992/4885HRH4 253/4885HRH3 418/4885

“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.