Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL444415

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)C1CCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
RAB9A P51151 1/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
CCR8 P51685 1/20 0.39
ALDH1A1 P00352 2/20 0.38
ATM Q13315 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRB P10828 1/20 0.36

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
Trifluoroacetic Acid SCHEMBL223098 0.99 KMT2A (0.41) KCNH2HRH3RAB9AKMT2AGAA
SCHEMBL223649 0.93 KCNH2 (0.46) KCNH2HRH3RAB9AKMT2AGAA
SCHEMBL223654 0.92 KMT2A (0.46) KCNH2HRH3RAB9AKMT2AGAA
Trifluoroacetic Acid SCHEMBL222396 0.89 HRH3 (0.35) KCNH2HRH3RAB9AHTT
Trifluoroacetic Acid SCHEMBL2421558 0.87 KDM4E (0.52) ALDH1A1MAPTTSHRHTT
Trifluoroacetic Acid SCHEMBL222744 0.86 RAB9A (0.41) HRH3RAB9AKMT2AALDH1A1MAPT
Trifluoroacetic Acid SCHEMBL219824 0.85 NPC1 (0.43) KCNH2HRH3RAB9AKMT2AALDH1A1
Cyclohexane SCHEMBL2428515 0.84 HRH3 (0.40) KCNH2HRH3RAB9ATHRB
Trifluoroacetic Acid SCHEMBL222702 0.82 HRH3 (0.35) KCNH2HRH3RAB9AKMT2ACCR8
Trifluoroacetic Acid SCHEMBL2417740 0.82 NTRK1 (0.38) KCNH2HRH3

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 2 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
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 KCNH2 1508/4885HRH3 1/4885RAB9A 3245/4885

“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.