Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL28058910

CC(C)C(=O)N1CCNC[C@@H]1C.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.40
PLD1 Q13393 1/20 0.39
F2 P00734 1/20 0.37
F9 P00740 1/20 0.37
F10 P00742 1/20 0.37
F12 P00748 1/20 0.37
PRSS1 P07477 1/20 0.37
PRSS2 P07478 1/20 0.37
F7 P08709 1/20 0.37
PRSS3 P35030 1/20 0.37
DPP7 Q9UHL4 4/20 0.35
DPP8 Q6V1X1 3/20 0.35
PKM P14618 1/20 0.33
TACR1 P25103 6/20 0.32
KHK P50053 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR2B P41595 1/20 0.30

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 SCHEMBL28320668 1.00 DPP4 (0.40) DPP4PLD1F2F9F10
Trifluoroacetic Acid SCHEMBL28058919 1.00 DPP4 (0.40) DPP4PLD1F2F9F10
SCHEMBL25381400 0.89 PLD1 (0.44) DPP4PLD1DPP7
SCHEMBL12413694 0.89 PLD1 (0.44) DPP4PLD1DPP7
SCHEMBL12414489 0.89 PLD1 (0.44) DPP4PLD1DPP7
Hydrochloric Acid SCHEMBL28320684 0.88 PLD1 (0.43) DPP4PLD1DPP7
Hydrochloric Acid SCHEMBL28320678 0.88 PLD1 (0.43) DPP4PLD1DPP7
Hydrochloric Acid SCHEMBL28320677 0.88 PLD1 (0.43) DPP4PLD1DPP7
Trifluoroacetic Acid SCHEMBL28943398 0.86 DPP8 (0.40) DPP4PLD1F2F9F10
Trifluoroacetic Acid SCHEMBL26113693 0.84 DPP4 (0.38) DPP4PLD1F2F9F10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220389003-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS IDEAYA BIOSCIENCES, INC. 2022-12-08 US disclosed
EP-4031249-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS Ideaya Biosciences, Inc. (US) 2022-07-27 EP disclosed
CN-110088098-B Quinazolinone PARP-1 inhibitor and preparation method, pharmaceutical composition and application thereof 中国医学科学院药物研究所 2022-04-15 CN disclosed
CN-105461697-A Quinazolinone PARP-1 inhibitors, medicinal composition containing inhibitors, and antitumor use of inhibitors INST MATERIA MEDICA CAMS 2016-04-06 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-20220389003-A1 4-SUBSTITUTED INDOLE AND INDAZOLE SULFONAMIDO DERIVATIVES AS PARG INHIBITORS PARG, PARP11, PARN DPP4 122/4885PLD1 3719/4885F2 1098/4885

“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.