SCHEMBL23924939

SCHEMBL23924939

COC(=O)C1(NC(=O)C(N)Cc2ccc(C(N)=O)cc2)CCCC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 4/20 0.43
▸ LCK P06239 1/20 0.42
▸ LNPEP Q9UIQ6 6/20 0.39
▸ ERAP2 Q6P179 3/20 0.39
▸ ERAP1 Q9NZ08 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ CSK P41240 1/20 0.36
▸ TPH1 P17752 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL23924937 1.00 GRB2 (0.43) GRB2LCKLNPEPERAP2ERAP1
SCHEMBL21683275 0.81 ANPEP (0.38) HDAC1HDAC6SPHK1
Trifluoroacetic Acid SCHEMBL8479455 0.80 PTPN1 (0.42) —
SCHEMBL21683255 0.80 CTSS (0.45) —
SCHEMBL21683256 0.80 CTSS (0.45) —
SCHEMBL18067861 0.73 ALDH1A1 (0.49) LNPEPERAP2ERAP1TPH1
SCHEMBL23924845 0.72 EPHX2 (0.43) GRB2LCK
SCHEMBL23924843 0.72 EPHX2 (0.43) GRB2LCK
SCHEMBL16976227 0.71 KDM4E (0.54) MAPT
SCHEMBL23925183 0.71 EPHX2 (0.43) —

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-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors UAB RESEARCH FOUNDATION (US) 2022-11-22 — — US disclosed
US-20210323933-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS UAB RESEARCH FOUNDATION (US) 2021-10-21 — — 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 (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-20210323933-A1 PIPERAZINE-2,5-DIONES AS TGF-BETA INHIBITORS TGFBR2, SMAD2, TGFB2 GRB2 993/4885LCK 2416/4885LNPEP 1859/4885
US-11505531-B2 Piperazine-2,5-diones as TGF-beta inhibitors TGFBR2, SMAD2, TGFB2 GRB2 993/4885LCK 2416/4885LNPEP 1859/4885

“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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