SCHEMBL26028186

SCHEMBL26028186

C=CNCCCC[C@H](NC(=O)[C@@H](N)Cc1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 2/20 0.42
▸ SIRT5 Q9NXA8 2/20 0.41
▸ SIRT2 Q8IXJ6 5/20 0.41
▸ SIRT1 Q96EB6 4/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.41
▸ ERAP2 Q6P179 1/20 0.41
▸ LNPEP Q9UIQ6 1/20 0.41
▸ OPRK1 P41145 2/20 0.40
▸ PLG P00747 2/20 0.40
▸ PLAU P00749 1/20 0.40
▸ KLKB1 P03952 1/20 0.40
▸ GNPAT O15228 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CTSC P53634 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 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
SCHEMBL26025959 0.87 OPRK1 (0.49) BACE1SIRT5SIRT2SIRT1SIRT3
SCHEMBL19719375 0.86 LTA4H (0.52) BACE1ERAP2LNPEPOPRK1PLG
SCHEMBL14140557 0.86 LTA4H (0.52) BACE1ERAP2LNPEPOPRK1PLG
SCHEMBL13166473 0.85 SPHK1 (0.50) SIRT2SIRT1SIRT3
SCHEMBL26025100 0.84 RUVBL1 (0.48) SMN1; SMN2
SCHEMBL15702056 0.84 SSTR3 (0.50) SIRT2SIRT1SIRT3
SCHEMBL23286133 0.83 SMN1; SMN2 (0.46) BACE1SIRT5SIRT2SIRT1SIRT3
SCHEMBL16450329 0.83 SMN1; SMN2 (0.46) BACE1SIRT5SIRT2SIRT1SIRT3
SCHEMBL23253744 0.81 HDAC3 (0.46) BACE1PLGPLAUKLKB1SMN1; SMN2
SCHEMBL26024378 0.81 SPHK1 (0.51) PLGPLAUKLKB1

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 BACE1 3521/4885SIRT5 2004/4885SIRT2 2798/4885

“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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