Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL485137

CCc1ccc(C2CC(N)CN(C(=O)N3CCCC3)C2)cc1.O=C(O)C(F)(F)F

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2R P25116 15/20 0.56
KDM1A O60341 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.41
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 1/20 0.39
MCHR1 Q99705 1/20 0.39
KMT2A Q03164 1/20 0.38

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
SCHEMBL10188703 0.93 F2R (0.59) F2RNPC1RAB9AMAPTSTAT1
Trifluoroacetic Acid SCHEMBL485900 0.83 F2R (0.60) F2RKDM1ANPC1RAB9AMAPT
SCHEMBL485912 0.81 F2R (0.59) F2RKDM1ANPC1RAB9AMAPT
SCHEMBL486020 0.80 F2R (0.61) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL486021 0.77 F2R (0.64) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL16579466 0.77 F2R (0.76) F2RNPC1RAB9AMAPTSTAT1
Trifluoroacetic Acid SCHEMBL28813997 0.76 F2R (0.39) F2RKDM1ANPC1RAB9AMAPT
SCHEMBL640707 0.76 F2R (0.60) F2RNPC1RAB9AMAPTSTAT1
SCHEMBL10188698 0.75 F2R (0.64) F2RKDM1ANPC1RAB9AMAPT
SCHEMBL24478306 0.75 RAB9A (0.54) F2RNPC1RAB9AMAPTSTAT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2411363-B1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER IP GMBH (DE) 2015-10-07 EP disclosed
US-20150183773-A1 Substituted piperidines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-07-02 US disclosed
US-8987248-B2 Substituted piperidines as Par-1 antagonists BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-03-24 US disclosed
CN-102438985-B Substituted piperidines as par-1 antagonists BAYER SCHERING PHARMA AG 2014-09-17 CN disclosed
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-02-23 US disclosed
EP-2411363-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS Bayer Pharma AG (DE) 2012-02-01 EP disclosed
WO-2010108608-A1 SUBSTITUTED PIPERIDINES AS PAR-1 ANTAGONISTS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-09-30 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-20150183773-A1 Substituted piperidines VHL, PIR, PIGO F2R 1243/4885KDM1A 3492/4885NPC1 168/4885
US-20120046268-A1 Substituted piperidines as Par-1 Antagonists F2R, F2RL1, F2RL3 F2R 1/4885KDM1A 1238/4885NPC1 871/4885

“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.