SCHEMBL25360818

SCHEMBL25360818

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ FPR2 P25090 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ HDAC8 Q9BY41 4/20 0.44
▸ HDAC3 O15379 3/20 0.44
▸ HDAC4 P56524 3/20 0.44
▸ HDAC1 Q13547 3/20 0.44
▸ HDAC7 Q8WUI4 3/20 0.44
▸ HDAC2 Q92769 3/20 0.44
▸ HDAC10 Q969S8 3/20 0.44
▸ HDAC11 Q96DB2 3/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.44
▸ HDAC9 Q9UKV0 3/20 0.44
▸ HDAC5 Q9UQL6 3/20 0.44
▸ SIRT5 Q9NXA8 1/20 0.43
▸ MMP2 P08253 2/20 0.43
▸ DHODH Q02127 1/20 0.42
▸ FPR1 P21462 2/20 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
SCHEMBL25360831 1.00 MAPT (0.45) MAPTSMN1; SMN2FPR2GAAHTT
SCHEMBL29649568 0.91 MAPT (0.43) MAPTSMN1; SMN2FPR2GAAHTT
SCHEMBL25361958 0.90 SSTR3 (0.50) HDAC8SIRT5SSTR3
SCHEMBL25361946 0.90 SSTR3 (0.50) HDAC8SIRT5SSTR3
SCHEMBL25361021 0.84 HDAC8 (0.54) MAPTSMN1; SMN2GAAHTTHDAC8
SCHEMBL25361012 0.84 HDAC8 (0.54) MAPTSMN1; SMN2GAAHTTHDAC8
SCHEMBL26015701 0.82 MMP2 (0.46) MAPTSMN1; SMN2FPR2HTTSIRT5
SCHEMBL18102693 0.81 SSTR3 (0.51) HDAC8SIRT5SSTR3
SCHEMBL29649478 0.81 SSTR3 (0.44) HDAC8SSTR3
SCHEMBL15702064 0.81 SSTR3 (0.52) HDAC8HDAC3HDAC4HDAC1HDAC7

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 MAPT 668/4885SMN1; SMN2 1162/4885FPR2 4532/4885

“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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