Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL14738207

C[C@@H](N)C(F)(F)Cc1ccccc1.O=C(O)C(F)(F)F

nearest known ligand 0.49

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
CPA1 P15085 1/20 0.47
CES1 P23141 1/20 0.44
ALPI P09923 1/20 0.44
PKM P14618 1/20 0.44
PTGS1 P23219 1/20 0.44
XIAP P98170 1/20 0.44
SLC7A5 Q01650 1/20 0.44
SLC6A2 P23975 2/20 0.44
TAAR1 Q96RJ0 2/20 0.44
MAOA P21397 1/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CYP2A6 P11509 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
TSHR P16473 1/20 0.44
CTRB1 P17538 3/20 0.42

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
SCHEMBL14737949 0.89 SLC6A2 (0.48) SMN1; SMN2HIF1ASLC6A2TAAR1MAOA
SCHEMBL7653149 0.76 SMN1; SMN2 (0.56) SMN1; SMN2HIF1AALPIPKMPTGS1
SCHEMBL803931 0.76 SMN1; SMN2 (0.52) SMN1; SMN2HIF1AALPIPKMPTGS1
Trifluoroacetic Acid SCHEMBL6894534 0.75 ALPI (0.51) CPA1ALPIPKMPTGS1XIAP
SCHEMBL529024 0.74 TRPA1 (0.44) SMN1; SMN2HIF1ACPA1CES1ALPI
Trifluoroacetic Acid SCHEMBL2367354 0.74 ALDH1A1 (0.50) SLC6A2SLC6A3CTRB1CYP2D6SLC1A3
Trifluoroacetic Acid SCHEMBL27766342 0.74 ALDH1A1 (0.50) SLC6A2SLC6A3CTRB1CYP2D6SLC1A3
SCHEMBL29293841 0.74 TRPA1 (0.47) SLC6A2TAAR1MAOASLC6A4SLC6A3
Dl-Phenylalanine SCHEMBL16649156 0.74 SLC7A5 (0.81) CPA1ALPIPKMPTGS1XIAP
Phenylalanine SCHEMBL3047281 0.74 SLC7A5 (0.81) CPA1ALPIPKMPTGS1XIAP

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
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 EP disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN-LA ROCHE INC. 2013-03-07 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-20130059834-A1 PYRROLOPYRAZINE KINASE INHIBITORS SYK, ZAP70, JAK1 SMN1; SMN2 4803/4885HIF1A 2728/4885CPA1 2422/4885

“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.