Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL21640389

O=C(O)C(F)(F)F.c1ccc(NC2CNC2)nc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.47
▸ HRH4 Q9H3N8 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ NPC1 O15118 4/20 0.42
▸ RAB9A P51151 4/20 0.42
▸ PKM P14618 2/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ CHIT1 Q13231 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ FLT3 P36888 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ AURKB Q96GD4 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
Trifluoroacetic Acid SCHEMBL30585792 1.00 HRH3 (0.47) HRH3HRH4KDM4ENPC1RAB9A
SCHEMBL18497478 0.86 HRH3 (0.53) HRH3NPC1RAB9APKMNOS2
Hydrochloric Acid SCHEMBL34474187 0.85 HRH3 (0.51) HRH3NPC1RAB9APKMNOS2
Trifluoroacetic Acid SCHEMBL4920824 0.82 NPC1 (0.50) KDM4ENPC1RAB9APKMCHIT1
Trifluoroacetic Acid SCHEMBL26645027 0.75 CHIT1 (0.53) KDM4ENPC1RAB9APKMCHIT1
SCHEMBL25422820 0.74 IRAK4 (0.50) HRH3HRH4NOS2FLT3
SCHEMBL13326544 0.74 IRAK4 (0.50) HRH3HRH4NOS2FLT3
SCHEMBL30632323 0.74 IRAK4 (0.50) HRH3HRH4NOS2FLT3
SCHEMBL17961796 0.74 IRAK4 (0.50) HRH3HRH4NOS2FLT3
SCHEMBL6216854 0.74 IRAK4 (0.50) HRH3HRH4NOS2FLT3

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
EP-3604305-B1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMA CO LTD (JP) 2024-08-28 — — EP disclosed
CN-110520422-B Novel pyridonecarboxylic acid derivative or salt thereof 涌永制药株式会社 2023-09-05 — — CN disclosed
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2022-03-29 — — US disclosed
US-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF WAKUNAGA PHARMACEUTICAL CO., LTD. (JP) 2020-02-27 — — US disclosed
EP-3604305-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF Wakunaga Pharmaceutical Co., Ltd. (JP) 2020-02-05 — — EP 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-20200062752-A1 NOVEL PYRIDONE CARBOXYLIC ACID DERIVATIVE OR SALT THEREOF RAB10, HDAC10, NEK10 HRH3 131/4885HRH4 385/4885KDM4E 3143/4885
US-11286255-B2 Pyridone carboxylic acid derivative or salt thereof RARA, RAB10, RABL6 HRH3 181/4885HRH4 551/4885KDM4E 3070/4885

“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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