Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL222396

Cc1cc([N+]2(N3CCC[C@@H]3C)CCCC2)ccc1NC(=O)C1C(C)(C)C1(C)C.O=C(O)C(F)(F)F

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.35
KCNH2 Q12809 5/20 0.35
PKM P14618 1/20 0.35
HTT P42858 1/20 0.35
GLA P06280 1/20 0.34
LMNA P02545 2/20 0.33
RAB9A P51151 1/20 0.33
KDM4E B2RXH2 1/20 0.33
CHIT1 Q13231 1/20 0.33
APOBEC3A P31941 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
HCRTR1 O43613 1/20 0.32

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
SCHEMBL220849 0.93 HRH3 (0.38) HRH3KCNH2HTTGLALMNA
Trifluoroacetic Acid SCHEMBL444415 0.89 KCNH2 (0.41) HRH3KCNH2HTTRAB9A
Trifluoroacetic Acid SCHEMBL223098 0.88 KMT2A (0.41) HRH3KCNH2RAB9A
Trifluoroacetic Acid SCHEMBL2421558 0.85 KDM4E (0.52) HTTLMNAKDM4E
Trifluoroacetic Acid SCHEMBL219824 0.84 NPC1 (0.43) HRH3KCNH2PKMHTTGLA
Trifluoroacetic Acid SCHEMBL222744 0.83 RAB9A (0.41) HRH3RAB9AKDM4ECHIT1
SCHEMBL2428638 0.83 HRH3 (0.38) HRH3KCNH2RAB9A
Cyclohexane SCHEMBL2428515 0.82 HRH3 (0.40) HRH3KCNH2RAB9A
SCHEMBL223649 0.81 KCNH2 (0.46) HRH3KCNH2HTTRAB9AAPOBEC3A
Trifluoroacetic Acid SCHEMBL2417740 0.81 NTRK1 (0.38) HRH3KCNH2

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 HRH3 1/4885KCNH2 1508/4885PKM 1531/4885

“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.