Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL22495565

NCC1(O)CCNCC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 6/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
HRH4 Q9H3N8 2/20 0.30
HRH3 Q9Y5N1 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 SCHEMBL2079996 0.83 HRH4 (0.33) HRH4HRH3
SCHEMBL6619497 0.82
Trifluoroacetic Acid SCHEMBL23855107 0.81 CPB2 (0.32) CPB2KDM4EKMT2AHRH4HRH3
Trifluoroacetic Acid SCHEMBL3335470 0.81 OPRM1 (0.33) KDM4EKMT2AHRH4HRH3
Trifluoroacetic Acid SCHEMBL3123952 0.81 HRH4 (0.32) CPB2HRH4HRH3
Hydrochloric Acid SCHEMBL9179524 0.80 KDM4E (0.31) KDM4EKMT2A
Trifluoroacetic Acid SCHEMBL34474863 0.79
Trifluoroacetic Acid SCHEMBL23119996 0.77 PIM1 (0.30)
Trifluoroacetic Acid SCHEMBL5035153 0.76 CYP1A2 (0.42) KMT2A
Trifluoroacetic Acid SCHEMBL21840084 0.75 KDM4E (0.34) KDM4EKMT2AHRH4HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2023-07-18 US disclosed
EP-3952998-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS Merck Patent GmbH (DE) 2022-02-16 EP disclosed
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2021-06-17 US disclosed
US-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
WO-2020210384-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS MERCK PATENT GMBH (DE) 2020-10-15 WO disclosed
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS EMD SERONO RESEARCH AND DEVELOPMENT, INC. 2020-10-08 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 (4 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-11001561-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 CPB2 3992/4885KDM4E 1041/4885KMT2A 926/4885
US-11702392-B2 Pyrimidinone derivatives as SHP2 antagonists PTPN5, PTPN1, PTPN2 CPB2 3992/4885KDM4E 1041/4885KMT2A 926/4885
US-20210179565-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 CPB2 3992/4885KDM4E 1041/4885KMT2A 926/4885
US-20200317622-A1 PYRIMIDINONE DERIVATIVES AS SHP2 ANTAGONISTS PTPN5, PTPN1, PTPN2 CPB2 3992/4885KDM4E 1041/4885KMT2A 926/4885

“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.