Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21639625

Nc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)c(=O)[nH]c12.O=C(O)C(F)(F)F

nearest known ligand 0.53

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 2/20 0.44
▸ PPARD Q03181 2/20 0.44
▸ NR1H4 Q96RI1 2/20 0.44
▸ PPARA Q07869 1/20 0.44
▸ NPC1 O15118 4/20 0.43
▸ RAB9A P51151 4/20 0.43
▸ MAPT P10636 2/20 0.42
▸ THRB P10828 1/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ HTT P42858 1/20 0.42
▸ CHIT1 Q13231 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TYMS P04818 1/20 0.41
▸ NHERF1 O14745 1/20 0.41

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
SCHEMBL21674069 0.94 MEN1 (0.47) NR1H4NPC1RAB9AMAPTTHRB
SCHEMBL21639623 0.85 PTGS1 (0.40) NPC1RAB9APTGS1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL28330975 0.82 NPC1 (0.47) NPC1RAB9AMAPTCA12CA2
SCHEMBL21639644 0.79 CA12 (0.48) PPARGNR1H4NPC1RAB9AMAPT
SCHEMBL21639579 0.77 APEX1 (0.52) NPC1RAB9AMAPTTHRBMEN1
SCHEMBL21639550 0.71 MAOA (0.52) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL10330651 0.71 NR1H4 (0.53) NR1H4NPC1RAB9AMAPTTHRB
SCHEMBL21639564 0.70 MAOA (0.50) MEN1KMT2A
SCHEMBL7696259 0.69 NR1H4 (0.56) PPARGPPARDNR1H4PPARANPC1
SCHEMBL21639684 0.69 DAO (0.51) NPC1RAB9AMAPTMEN1KMT2A

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-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2021-03-11 — — US disclosed
EP-3604281-A1 2(1H)-QUINOLINONE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2020-02-05 — — EP disclosed
CN-110446699-A 2(1H) -quinolinone derivatives TAISHO PHARMACEUTICAL CO LTD 2019-11-12 — — CN 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-20210070747-A1 2(1H)-QUINOLINONE DERIVATIVE TOP2A, TOP2B, TOP1 PPARG 1807/4885PPARD 2166/4885NR1H4 2741/4885

“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.

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