Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL17478709

Cc1cc(O)nc2ccc(NC(=O)c3cc(S(=O)(=O)N4CC(N)C4)ccc3N3CCOCC3)cc12.O=C(O)C(F)(F)F

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
NPSR1 Q6W5P4 2/20 0.54
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
HSD17B10 Q99714 1/20 0.49
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
RAD52 P43351 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
GBA1 P04062 2/20 0.42
KMT2A Q03164 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
SCHEMBL19667031 0.96 ALDH1A1 (0.56) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL19680523 0.90 ALDH1A1 (0.53) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17478705 0.88 ALDH1A1 (0.63) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17479128 0.87 ALDH1A1 (0.54) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17478607 0.86 ALDH1A1 (0.70) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17478809 0.85 ALDH1A1 (0.59) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17478746 0.85 ALDH1A1 (0.63) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL19667075 0.85 ALDH1A1 (0.51) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17478946 0.84 RAD52 (0.61) ALDH1A1HPGDNPSR1KDM4EHTT
SCHEMBL17478971 0.84 ALDH1A1 (0.52) ALDH1A1HPGDNPSR1KDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10752640-B2 Compounds active towards bromodomains NUEVOLUTION A/S (DK) 2020-08-25 US disclosed
US-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2017-12-07 US disclosed
EP-3174868-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS Nuevolution A/S (DK) 2017-06-07 EP disclosed
WO-2016016316-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS NUEVOLUTION A/S (DK) 2016-02-04 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-20170349607-A1 COMPOUNDS ACTIVE TOWARDS BROMODOMAINS BRD4, BRD3, BRDT ALDH1A1 3848/4885HPGD 2141/4885NPSR1 4111/4885
US-10752640-B2 Compounds active towards bromodomains BRD4, BRD3, BRDT ALDH1A1 3848/4885HPGD 2141/4885NPSR1 4111/4885

“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.