Sugi Predict

Sugi Predict / Compounds / Trifluoroacetic Acid

Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL4092152

O=C(O)C(F)(F)F.O=[N+]([O-])c1ccc2cn(-c3ccnc4[nH]ccc34)nc2c1

nearest known ligand 0.47

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.47
▸ MEN1 O00255 3/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ MAPT P10636 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ NFKB1 P19838 1/20 0.43
▸ CASP3 P42574 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SENP8 Q96LD8 1/20 0.43
▸ SENP7 Q9BQF6 1/20 0.43
▸ SENP6 Q9GZR1 1/20 0.43
▸ PRKCI P41743 1/20 0.38
▸ KDM1A O60341 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ PBK Q96KB5 1/20 0.33
▸ AURKA O14965 1/20 0.33

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 SCHEMBL4082520 0.93 NPC1 (0.38) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL100896 0.91 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL29540654 0.91 MEN1 (0.52) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL100232 0.83 PRKCI (0.44) KMT2AMEN1NPC1RAB9AMAPT
Trifluoroacetic Acid SCHEMBL4086134 0.82 PRKCI (0.43) PRKCIPBKAURKAAURKBMET
Trifluoroacetic Acid SCHEMBL4087921 0.79 PRKCI (0.47) KMT2AMEN1MAPTLMNAPRKCI
Trifluoroacetic Acid SCHEMBL4086536 0.78 SMN1; SMN2 (0.39) KMT2AMEN1MAPTSMN1; SMN2PRKCI
Trifluoroacetic Acid SCHEMBL4086259 0.78 PRKCI (0.44) KMT2AMEN1NPC1RAB9AMAPT
SCHEMBL28867039 0.73 PRKCI (0.48) PRKCIPBKAURKAAURKBRHEB
SCHEMBL29941811 0.73 PRKCI (0.48) PRKCIPBKAURKAAURKBRHEB

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 KMT2A 780/4885MEN1 3406/4885NPC1 4797/4885
US-20090181959-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 KMT2A 780/4885MEN1 3406/4885NPC1 4797/4885

“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.