Trifluoroacetic Acid

Trifluoroacetic Acid

SCHEMBL30009630

COc1ccc(C(=O)N2CCC(O[C@@H]3CCNC[C@H]3F)CC2)cc1N1CCC(=O)NC1=O.O=C(O)C(F)(F)F

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ SOS1 Q07889 2/20 0.37
▸ HSD11B1 P28845 4/20 0.35
▸ BCL9 O00512 8/20 0.35
▸ CTNNB1 P35222 8/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ PGR P06401 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ GPR6 P46095 1/20 0.35
▸ MLKL Q8NB16 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ LMNA P02545 1/20 0.34

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
SCHEMBL23121734 0.95 HSD11B1 (0.38) SOS1HSD11B1BCL9CTNNB1NR3C1
Trifluoroacetic Acid SCHEMBL31696980 0.90 PKM (0.46) PKMKDM4EALDH1A1SOS1HSD11B1
Trifluoroacetic Acid SCHEMBL30009822 0.89 HSD11B1 (0.35) PKMHSD11B1BCL9CTNNB1GPR6
SCHEMBL23122387 0.84 NR3C1 (0.38) KDM4EALDH1A1SOS1HSD11B1NR3C1
SCHEMBL30008961 0.84 HSD11B1 (0.37) HSD11B1BCL9CTNNB1CRBN
SCHEMBL23122009 0.84 HSD11B1 (0.37) HSD11B1BCL9CTNNB1CRBN
SCHEMBL21409448 0.84 HSD11B1 (0.42) KDM4EALDH1A1HSD11B1BCL9CTNNB1
Trifluoroacetic Acid SCHEMBL31255728 0.84 PKM (0.46) PKMKDM4EALDH1A1SOS1HSD11B1
Hydrochloric Acid SCHEMBL23122705 0.83 HSD11B1 (0.41) KDM4EALDH1A1HSD11B1BCL9CTNNB1
Hydrochloric Acid SCHEMBL30008988 0.83 HSD11B1 (0.41) KDM4EALDH1A1HSD11B1BCL9CTNNB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220315578-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE NOVARTIS INSTITUTES FOR BIOMEDICAL RESEARCH, INC. 2022-10-06 — — US disclosed
EP-4041724-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE Novartis AG (CH) 2022-08-17 — — 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 (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-20220315578-A1 BRD9 BIFUNCTIONAL DEGRADERS AND THEIR METHODS OF USE BRD9, BRD2, BRD1 PKM 4202/4885KDM4E 944/4885ALDH1A1 4135/4885

“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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