Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL1198632

C1=C(c2ccc(-c3ncccn3)cc2)CCNC1.O=C(O)C(F)(F)F

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.50
HTR2C P28335 8/20 0.49
QDPR P09417 2/20 0.48
P2RY14 Q15391 1/20 0.46
NAMPT P43490 1/20 0.42
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
RAD52 P43351 1/20 0.39
UBE2N P61088 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FTO Q9C0B1 1/20 0.39

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
SCHEMBL12193536 0.86 SIGMAR1 (0.61) SIGMAR1HTR2CQDPRNAMPT
Trifluoroacetic Acid SCHEMBL19989664 0.85 SIGMAR1 (0.67) SIGMAR1HTR2CQDPRP2RY14NAMPT
Hydrochloric Acid SCHEMBL18113481 0.84 HTR2C (0.62) SIGMAR1HTR2CQDPRNAMPT
Trifluoroacetic Acid SCHEMBL16228956 0.83 SIGMAR1 (0.51) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL9023698 0.82 SIGMAR1 (0.46) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL29749858 0.81 QDPR (0.50) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL16799644 0.81 HTR2C (0.71) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL30182435 0.81 QDPR (0.53) SIGMAR1HTR2CQDPRP2RY14NAMPT
Trifluoroacetic Acid SCHEMBL3854727 0.79 TRPV1 (0.40) SIGMAR1HTR2CP2RY14
Trifluoroacetic Acid SCHEMBL21003196 0.76 P2RY14 (0.37) SIGMAR1HTR2CQDPRP2RY14CCNT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546404-B2 Compounds that are ERK inhibitors MERCK SHARP & DOHME (US) 2013-10-01 US disclosed
EP-1966151-B1 POLYCYCLIC INDAZOLE DERIVATIVES THAT ARE ERK INHIBITORS SCHERING CORP (US) 2011-10-05 EP disclosed
US-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS SCHERING CORPORATION 2011-02-17 US disclosed
US-20090118284-A1 Novel compounds that are ERK inhibitors MERCK SHARP & DOHME LLC 2009-05-07 US disclosed
US-20070191604-A1 Novel compounds that are ERK inhibitors SCHERING CORPORATION 2007-08-16 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 (3 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-20110038876-A1 HETEROCYCLIC COMPOUNDS AND USE THEREOF AS ERK INHIBITORS MAPK1, MAPK4, MAPK10 SIGMAR1 1550/4885HTR2C 3489/4885QDPR 667/4885
US-20090118284-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPK10 SIGMAR1 1543/4885HTR2C 4139/4885QDPR 546/4885
US-20070191604-A1 Novel compounds that are ERK inhibitors MAPK1, MAPK4, MAPKAPK2 SIGMAR1 1454/4885HTR2C 3899/4885QDPR 441/4885

“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.