Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL952417

NC1CCN(C(=O)OCc2ccccc2)C1.O=C(O)C(F)(F)F

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
CYP2C19 P33261 1/20 0.58
NPC1 O15118 2/20 0.57
RAB9A P51151 2/20 0.57
HTT P42858 1/20 0.50
PDK1 Q15118 1/20 0.49
PDK2 Q15119 1/20 0.49
PDK3 Q15120 1/20 0.49
PDK4 Q16654 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
GRIN2B Q13224 5/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C9 P11712 2/20 0.47
PDE4B Q07343 1/20 0.45
KDM1A O60341 1/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 1/20 0.45
USP30 Q70CQ3 1/20 0.45

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 SCHEMBL952269 0.93 SMN1; SMN2 (0.64) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL6524693 0.92 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL266047 0.92 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL1189968 0.92 SMN1; SMN2 (0.67) SMN1; SMN2CYP2C19NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL6175666 0.91 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL716733 0.91 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AHTT
Hydrochloric Acid SCHEMBL2514584 0.91 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19NPC1RAB9AHTT
Acetic Acid SCHEMBL2495069 0.89 SMN1; SMN2 (0.62) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL654999 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AHTT
SCHEMBL764193 0.85 SMN1; SMN2 (0.60) SMN1; SMN2CYP2C19NPC1RAB9AHTT

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8426420-B2 Heterocyclic pyrazole-carboxamidesas P2Y12 antagonists SANOFI (FR) 2013-04-23 US disclosed
EP-2238128-B1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFI SA (FR) 2012-08-22 EP disclosed
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS SANOFI-AVENTIS (FR) 2011-01-27 US disclosed
EP-2238128-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS Sanofi-Aventis (FR) 2010-10-13 EP disclosed
WO-2009080226-A2 HETEROCYCLIC PYRAZOLE-CARBOXAMIDES AS P2Y12 ANTAGONISTS SANOFIS-AVENTIS (FR) 2009-07-02 WO disclosed
US-20070219210-A1 Amidopyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-20 US disclosed
EP-1698626-A1 AMIDOPYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-09-06 EP disclosed
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed
EP-0828754-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1998-03-18 EP disclosed
WO-1996038471-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER INC. (US) 1996-12-05 WO disclosed
WO-1996035713-A1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER, INC. (US) 1996-11-14 WO 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-20070219210-A1 Amidopyrazole Derivative PTGER1, PTGS1, PTGER2 SMN1; SMN2 4048/4885CYP2C19 40/4885NPC1 4459/4885
US-20110021537-A1 HETEROCYCLIC PYRAZOLE-CARBOXAMIDESAS P2Y12 ANTAGONISTS P2RY1, P2RY12, P2RY11 SMN1; SMN2 4214/4885CYP2C19 376/4885NPC1 4195/4885

“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.