Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL223098

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)C1CCCCC1.O=C(O)C(F)(F)F

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
CCR8 P51685 1/20 0.40
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
ATM Q13315 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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 SCHEMBL444415 0.99 KCNH2 (0.41) KMT2AGAAKCNH2HRH3CCR8
SCHEMBL223654 0.93 KMT2A (0.46) KMT2AGAAKCNH2HRH3CCR8
SCHEMBL223649 0.92 KCNH2 (0.46) KMT2AGAAKCNH2HRH3CCR8
Trifluoroacetic Acid SCHEMBL222396 0.88 HRH3 (0.35) KCNH2HRH3RAB9A
Trifluoroacetic Acid SCHEMBL2421558 0.86 KDM4E (0.52) ALDH1A1MAPTSMN1; SMN2
Trifluoroacetic Acid SCHEMBL222744 0.85 RAB9A (0.41) KMT2AHRH3RAB9AALDH1A1TDP1
Cyclohexane SCHEMBL2428515 0.85 HRH3 (0.40) KCNH2HRH3RAB9A
Trifluoroacetic Acid SCHEMBL219824 0.84 NPC1 (0.43) KMT2AKCNH2HRH3RAB9AALDH1A1
Trifluoroacetic Acid SCHEMBL2417740 0.81 NTRK1 (0.38) KCNH2HRH3
Trifluoroacetic Acid SCHEMBL222702 0.81 HRH3 (0.35) KMT2AKCNH2HRH3CCR8RAB9A

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 KMT2A 507/4885GAA 3600/4885KCNH2 1508/4885

“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.