Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4392857

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.38
CTSD P07339 4/20 0.36
MME P08473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
POLB P06746 1/20 0.33
CTSC P53634 1/20 0.33
PLA2G2A P14555 1/20 0.33
PLA2G5 P39877 1/20 0.33
SDCBP O00560 1/20 0.33
SDC2 P34741 1/20 0.33

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
SCHEMBL4968369 0.91 NPSR1 (0.43) NPSR1MMESMN1; SMN2ALDH1A1POLB
SCHEMBL4968366 0.91 NPSR1 (0.43) NPSR1MMESMN1; SMN2ALDH1A1POLB
SCHEMBL29531660 0.91 NPSR1 (0.43) NPSR1MMESMN1; SMN2ALDH1A1POLB
SCHEMBL30997444 0.89 NPSR1 (0.42) NPSR1MMESMN1; SMN2ALDH1A1POLB
SCHEMBL29839283 0.86 NPSR1 (0.40) NPSR1CTSDMMESMN1; SMN2ALDH1A1
SCHEMBL31265320 0.84 NPSR1 (0.38) NPSR1CTSDMMESMN1; SMN2ALDH1A1
Trifluoroacetic Acid SCHEMBL7435083 0.83 ITGB1 (0.40) NPSR1CTSDCTSC
SCHEMBL31631407 0.80 MME (0.39) CTSDMMESMN1; SMN2ALDH1A1CTSC
SCHEMBL29380611 0.79 NPSR1 (0.47) NPSR1CTSDMMESMN1; SMN2ALDH1A1
SCHEMBL232334 0.79 NPSR1 (0.53) NPSR1SMN1; SMN2ALDH1A1CTSCPLA2G2A

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 NPSR1 3134/4885CTSD 3616/4885MME 4617/4885
US-20120308646-A1 TETRACYCLIC ANTHRAQUINONES POSSESSING ANTI-CANCER PROPERTIES ALAD, SLC27A2, ANTXR2 NPSR1 3774/4885CTSD 2661/4885MME 3487/4885

“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.