SCHEMBL29310045

SCHEMBL29310045

CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C)C(=O)CCl

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 2/20 0.42
▸ BACE1 P56817 3/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ F2 P00734 4/20 0.36
▸ EGFR P00533 1/20 0.35
▸ MMP3 P08254 1/20 0.35
▸ ERAP2 Q6P179 1/20 0.35
▸ MMP2 P08253 1/20 0.35
▸ MMP7 P09237 1/20 0.35
▸ MMP9 P14780 1/20 0.35
▸ MMP12 P39900 1/20 0.35
▸ MMP13 P45452 1/20 0.35
▸ GRPR P30550 2/20 0.35
▸ CTNNB1 P35222 1/20 0.34
▸ KISS1R Q969F8 1/20 0.34
▸ KEAP1 Q14145 2/20 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
SCHEMBL29310044 0.92 PTPN1 (0.43) PTPN1BACE1BACE2F2MMP2
SCHEMBL31094977 0.86 PTPN1 (0.46) PTPN1BACE1BACE2F2ERAP2
SCHEMBL3253193 0.83 PTPN1 (0.43) PTPN1BACE1BACE2F2CTNNB1
SCHEMBL30433903 0.82 PTPN1 (0.47) PTPN1BACE1BACE2EGFR
SCHEMBL31746072 0.82 PTPN1 (0.49) PTPN1BACE1BACE2ERAP2GRPR
SCHEMBL19051569 0.81 GNPAT (0.40) PTPN1BACE1BACE2ERAP2
SCHEMBL7599777 0.80 ERAP2 (0.44) PTPN1BACE1BACE2ERAP2
SCHEMBL31354582 0.80 PTPN1 (0.44) PTPN1BACE1BACE2EGFRERAP2
SCHEMBL7599791 0.80 ERAP2 (0.44) PTPN1BACE1BACE2ERAP2
SCHEMBL30632045 0.79 MAGI3 (0.39) PTPN1BACE1BACE2F2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240229043-A1 Methods and Compositions for Treating, Ameliorating, and/or Preventing Chronic Kidney Disease (CKD) and Complications thereof by Regulating DPEP1, CASP9, ACSS2 and/or FASN UNIV PENNSYLVANIA (US) 2024-07-11 — — 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 (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-20240229043-A1 Methods and Compositions for Treating, Ameliorating, and/or Preventing Chronic Kidney Disease (CKD) and Complications thereof by Regulating DPEP1, CASP9, ACSS2 and/or FASN FASN, CASP9, AIFM2 PTPN1 2992/4885BACE1 1016/4885BACE2 1688/4885

“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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