SCHEMBL29649568

SCHEMBL29649568

Cc1ccc(C(NCCCC[C@H](NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)Nc2ccc(COC(=O)Oc3ccc([N+](=O)[O-])cc3)cc2)(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ SIRT5 Q9NXA8 1/20 0.42
▸ FPR2 P25090 1/20 0.41
▸ FPR1 P21462 2/20 0.39
▸ NMBR P28336 2/20 0.39
▸ PSMB5 P28074 1/20 0.39
▸ HDAC8 Q9BY41 2/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ HDAC10 Q969S8 1/20 0.39
▸ HDAC11 Q96DB2 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.39
▸ HDAC9 Q9UKV0 1/20 0.39
▸ HDAC5 Q9UQL6 1/20 0.39

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 0.91 SSTR3 (0.44) HDAC8
SCHEMBL25360818 0.91 MAPT (0.45) MAPTSMN1; SMN2GAAHTTSIRT5
SCHEMBL25360831 0.91 MAPT (0.45) MAPTSMN1; SMN2GAAHTTSIRT5
SCHEMBL26015746 0.90 SIRT5 (0.45) MAPTSMN1; SMN2GAAHTTSIRT5
SCHEMBL29649545 0.87 MAPT (0.51) MAPTSMN1; SMN2GAAHTTSIRT5
SCHEMBL25361716 0.85 PTPN1 (0.43) —
SCHEMBL25361722 0.85 PTPN1 (0.43) —
SCHEMBL25361946 0.81 SSTR3 (0.50) SIRT5HDAC8
SCHEMBL25361958 0.81 SSTR3 (0.50) SIRT5HDAC8
SCHEMBL26015625 0.81 SSTR3 (0.48) HDAC8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4237008-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF Elucida Oncology, Inc. (US) 2023-09-06 — — EP disclosed
US-20230241243-A1 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. 2023-08-03 — — US disclosed
WO-2022093800-A2 CARRIER PARTICLE-DRUG CONJUGATES, SELF-IMMOLATIVE LINKERS, AND USES THEREOF ELUCIDA ONCOLOGY, INC. (US) 2022-05-05 — — WO 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 MAPT 668/4885SMN1; SMN2 1162/4885GAA 307/4885

“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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