Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL223636

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)c1ccco1.O=C(O)C(F)(F)F

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PKM P14618 5/20 0.45
NPSR1 Q6W5P4 2/20 0.44
HTT P42858 1/20 0.43
ALDH1A1 P00352 4/20 0.42
RAB9A P51151 3/20 0.42
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
HPGD P15428 1/20 0.41
GRM7 Q14831 1/20 0.40
GRM4 Q14833 1/20 0.40
KMT2A Q03164 2/20 0.40
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL219754 0.94 PKM (0.51) PKMNPSR1HTTALDH1A1RAB9A
Trifluoroacetic Acid SCHEMBL445482 0.86 HRH3 (0.38) HTTALDH1A1RAB9AKMT2AMAPT
Trifluoroacetic Acid SCHEMBL222702 0.85 HRH3 (0.35) ALDH1A1RAB9AKMT2ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL220163 0.83 GPR6 (0.35) POLB
Trifluoroacetic Acid SCHEMBL2417740 0.83 NTRK1 (0.38)
Trifluoroacetic Acid SCHEMBL2418838 0.83 CHRNA7 (0.38) RAB9ASMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL444415 0.82 KCNH2 (0.41) NPSR1HTTALDH1A1RAB9ATSHR
Trifluoroacetic Acid SCHEMBL223098 0.81 KMT2A (0.41) ALDH1A1RAB9AKMT2ASMN1; SMN2GAA
Trifluoroacetic Acid SCHEMBL222396 0.81 HRH3 (0.35) PKMHTTRAB9AKDM4E
Trifluoroacetic Acid SCHEMBL2421558 0.80 KDM4E (0.52) HTTALDH1A1TSHRHSD17B10HPGD

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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-03-15 US disclosed
US-8088808-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-01-03 US disclosed
EP-2212283-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 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 (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-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 PKM 1531/4885NPSR1 11/4885HTT 649/4885

“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.