Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4099482

O=C(O)C(F)(F)F.c1cc(-n2cc3c(n2)CCCC3)c2cc[nH]c2n1

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.41
PBK Q96KB5 2/20 0.40
NUDT1 P36639 3/20 0.39
AKT1 P31749 2/20 0.38
PDE2A O00408 1/20 0.37
PDE3A Q14432 1/20 0.37
JAK1 P23458 1/20 0.37
AKT2 P31751 4/20 0.37
CAPN1 P07384 1/20 0.36
HTT P42858 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
GAA P10253 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRL1 P41146 1/20 0.34
KLKB1 P03952 1/20 0.34

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
SCHEMBL101265 0.89 PRKCI (0.50) PRKCIPBKNUDT1PDE2APDE3A
Trifluoroacetic Acid SCHEMBL4086134 0.77 PRKCI (0.43) PRKCIPBKNUDT1AKT2CAPN1
Trifluoroacetic Acid SCHEMBL4096039 0.75 PRKCI (0.47) PRKCIPBKNUDT1AKT1JAK1
Trifluoroacetic Acid SCHEMBL4082744 0.73 PRKCI (0.44) PRKCIPBKNUDT1AKT1JAK1
Trifluoroacetic Acid SCHEMBL4082067 0.72 PRKCI (0.54) PRKCIPBKNUDT1JAK1AURKA
Trifluoroacetic Acid SCHEMBL4082707 0.71 PRKCI (0.52) PRKCIPBKJAK1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092178 0.71 MAPK14 (0.41) PRKCIPBKCAPN1AURKAAURKB
Trifluoroacetic Acid SCHEMBL4092152 0.71 KMT2A (0.47) PRKCIPBKJAK1HTTAURKA
Trifluoroacetic Acid SCHEMBL100988 0.71 PRKCI (0.38) PRKCIPBKNUDT1AKT1JAK1
Trifluoroacetic Acid SCHEMBL29540978 0.71 PRKCI (0.38) PRKCIPBKNUDT1AKT1JAK1

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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2013-05-30 US disclosed
US-8415362-B2 Pyrazolyl substituted pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2013-04-09 US disclosed
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2009-07-16 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 (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-20130137681-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885PBK 359/4885NUDT1 1879/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 PRKCI 304/4885PBK 359/4885NUDT1 1879/4885

“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.