Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL222744

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)CC1CCCC1.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
RAB9A P51151 2/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CHIT1 Q13231 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
RORC P51449 4/20 0.35
CYP3A4 P08684 1/20 0.35
EPHX2 P34913 1/20 0.35
AKR1C3 P42330 1/20 0.35
AKR1C2 P52895 1/20 0.35
NAMPT P43490 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RX7 Q99572 1/20 0.34
MAPT P10636 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL222631 0.94 RAB9A (0.47) RAB9ANPC1MEN1KMT2AAAK1
Trifluoroacetic Acid SCHEMBL444415 0.86 KCNH2 (0.41) RAB9AKMT2AHRH3ALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL223098 0.85 KMT2A (0.41) RAB9AKMT2AHRH3ALDH1A1TDP1
Trifluoroacetic Acid SCHEMBL222396 0.83 HRH3 (0.35) RAB9ACHIT1HRH3KDM4E
Cyclohexane SCHEMBL2428515 0.81 HRH3 (0.40) RAB9ANPC1HRH3CYP3A4
Trifluoroacetic Acid SCHEMBL2421558 0.81 KDM4E (0.52) CYP3A4KDM4EALDH1A1MAPTTSHR
Trifluoroacetic Acid SCHEMBL222702 0.80 HRH3 (0.35) RAB9AMEN1KMT2AHRH3ALDH1A1
Trifluoroacetic Acid SCHEMBL2417740 0.80 NTRK1 (0.38) HRH3
Trifluoroacetic Acid SCHEMBL223636 0.80 PKM (0.45) RAB9ANPC1MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL219824 0.79 NPC1 (0.43) RAB9ANPC1MEN1KMT2AHRH3

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-8252824-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2012-08-28 US disclosed
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
US-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-07-08 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 (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-20100173949-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 RAB9A 3245/4885NPC1 1047/4885MEN1 3865/4885
US-20120065234-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 RAB9A 3245/4885NPC1 1047/4885MEN1 3865/4885

“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.