SCHEMBL26015625

SCHEMBL26015625

CNCCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(COC(=O)Oc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SSTR3 P32745 1/20 0.48
▸ CTSL P07711 3/20 0.44
▸ PTPN1 P18031 5/20 0.44
▸ HDAC8 Q9BY41 1/20 0.41
▸ SIRT1 Q96EB6 5/20 0.41
▸ SIRT2 Q8IXJ6 5/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.41

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
SCHEMBL29649478 0.89 SSTR3 (0.44) SSTR3CTSLPTPN1HDAC8SIRT1
SCHEMBL26015746 0.89 SIRT5 (0.45) SSTR3
SCHEMBL17741052 0.89 HTR2A (0.41) SSTR3PTPN1SIRT1SIRT2SIRT3
SCHEMBL13410176 0.85 TGM2 (0.41) SSTR3PTPN1SIRT1SIRT2SIRT3
SCHEMBL13401556 0.85 TGM2 (0.41) SSTR3PTPN1SIRT1SIRT2SIRT3
SCHEMBL30895569 0.84 PTPN1 (0.45) SSTR3CTSLPTPN1
SCHEMBL12972289 0.84 PTPN1 (0.47) PTPN1SIRT1SIRT2SIRT3
SCHEMBL2734926 0.84 PTPN1 (0.47) PTPN1SIRT1SIRT2SIRT3
SCHEMBL25361722 0.84 PTPN1 (0.43) SSTR3CTSLPTPN1SIRT1SIRT2
SCHEMBL25361716 0.84 PTPN1 (0.43) SSTR3CTSLPTPN1SIRT1SIRT2

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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — 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-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF NDC1, KIFC1, SDCBP SSTR3 3591/4885CTSL 1742/4885PTPN1 754/4885

“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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