Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL2421645

Cc1cc(NC(=O)c2cccnc2)ccc1N1CCC(N2CCCC2C)C1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 10/20 0.58
RAB9A P51151 5/20 0.47
NPC1 O15118 4/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
ALDH1A1 P00352 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
REV1 Q9UBZ9 1/20 0.44
KCNH2 Q12809 1/20 0.44
POLB P06746 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL2424362 0.94 HRH3 (0.63) HRH3RAB9ANPC1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL2427276 0.88 HRH3 (0.61) HRH3RAB9ANPC1SMN1; SMN2MAPT
Trifluoroacetic Acid SCHEMBL2421907 0.87 HRH3 (0.59) HRH3SMN1; SMN2MAPTKCNH2
Trifluoroacetic Acid SCHEMBL223666 0.87 HRH3 (0.59) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2425145 0.87 HRH3 (0.59) HRH3KCNH2
Trifluoroacetic Acid SCHEMBL2418671 0.86 HRH3 (0.54) HRH3
Trifluoroacetic Acid SCHEMBL2418670 0.86 HRH3 (0.54) HRH3
SCHEMBL13266071 0.86 HRH3 (0.73) HRH3SMN1; SMN2MAPTALDH1A1KCNH2
Trifluoroacetic Acid SCHEMBL2425266 0.85 HRH3 (0.72) HRH3MAPTLMNAKCNH2
Trifluoroacetic Acid SCHEMBL2419125 0.85 HRH3 (0.67) HRH3MAPTLMNAKCNH2

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-8618159-B2 Substituted N-phenyl-bipyrrolidine carboxamides and therapeutic use thereof SANOFI (FR) 2013-12-31 US disclosed
EP-2212282-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-09-21 EP disclosed
US-20100173897-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 (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-20100173897-A1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE CARBOXAMIDES AND THERAPEUTIC USE THEREOF HRH3, HRH4, CNR1 HRH3 1/4885RAB9A 3245/4885NPC1 1047/4885

“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.