Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4389285

CC(C)[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)O.O=C(O)C(F)(F)F

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50
PTGS1 P23219 1/20 0.50
XIAP P98170 1/20 0.50
SLC7A5 Q01650 1/20 0.50
OPRK1 P41145 3/20 0.49
MME P08473 2/20 0.48
ALDH1A1 P00352 1/20 0.48
CTSD P07339 2/20 0.48
LTA4H P09960 1/20 0.47
CTRB1 P17538 2/20 0.47
FNTA P49354 1/20 0.46
FNTB P49356 1/20 0.46

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
SCHEMBL9485864 0.93 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL4434435 0.93 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL4434431 0.93 CTSC (0.57) CTSCALPIPKMPTGS1XIAP
Hydrochloric Acid SCHEMBL30698079 0.92 CTSC (0.56) CTSCALPIPKMPTGS1XIAP
SCHEMBL30051660 0.91 CTSD (0.55) CTSCALPIPKMPTGS1XIAP
SCHEMBL30052830 0.88 OPRD1 (0.53) CTSCALPIPKMPTGS1XIAP
SCHEMBL29377179 0.87 MME (0.57) CTSCALPIPKMPTGS1XIAP
SCHEMBL30052163 0.87 CTSD (0.54) CTSCALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL16050210 0.86 LTA4H (0.57) CTSCALPIPKMPTGS1XIAP
Trifluoroacetic Acid SCHEMBL1163885 0.86 CTSC (0.56) CTSCALPIPKMPTGS1XIAP

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
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG (CN) 2012-12-06 US disclosed
US-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ZHANG HESHENG 2009-12-31 US disclosed
EP-2123283-A1 THE TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER EFFECT Tianjin Hemey Bio-Tech Co., Ltd. (CN) 2009-11-25 EP 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-20090325894-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES GLS2, GLS, VIP CTSC 2966/4885ALPI 73/4885PKM 2571/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 CTSC 1123/4885ALPI 560/4885PKM 2563/4885

“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.