SCHEMBL20126461

SCHEMBL20126461

CC(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(C)C)C(C)C)cc1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 10/20 0.41
▸ SIRT1 Q96EB6 9/20 0.41
▸ SIRT3 Q9NTG7 3/20 0.41
▸ SIRT5 Q9NXA8 3/20 0.41
▸ HTT P42858 1/20 0.41
▸ FURIN P09958 2/20 0.41
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL18822243 0.93 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL24220963 0.93 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL21728798 0.92 SIRT2 (0.41) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL20750038 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL19372451 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL16202562 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL21901403 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL22541305 0.92 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL19485777 0.92 SIRT2 (0.44) SIRT2SIRT1SIRT3SIRT5HTT
SCHEMBL15499771 0.92 SIRT2 (0.42) SIRT2SIRT1SIRT3SIRT5HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates MEDIMMUNE LIMITED (GB) 2023-10-03 — — US disclosed
US-10960083-B2 Binding protein drug conjugates comprising anthracycline derivatives NBE-THERAPEUTICS AG (CH) 2021-03-30 — — US disclosed
EP-3610889-A1 PROTEIN-ACTIVE AGENT CONJUGATES AND METHOD FOR PREPARING THE SAME LegoChem Biosciences, Inc. (KR) 2020-02-19 — — EP disclosed
EP-2707031-B1 PROTEIN-ACTIVE AGENT CONJUGATES AND METHOD FOR PREPARING THE SAME LEGOCHEM BIOSCIENCES INC (KR) 2019-06-26 — — EP disclosed
US-20180127505-A1 HUMANIZED ANTI-AXL ANTIBODIES AND THEIR CONJUGATES ADC THERAPEUTICS SA (CH) 2018-05-10 — — 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 (3 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-20180127505-A1 HUMANIZED ANTI-AXL ANTIBODIES AND THEIR CONJUGATES AXL, TYRO3, FLT3 SIRT2 1493/4885SIRT1 1932/4885SIRT3 2528/4885
US-11771775-B2 Pyrrolobenzodiazepine-antibody conjugates CD79B, BCL6B, BCL6 SIRT2 3855/4885SIRT1 4283/4885SIRT3 4266/4885
US-10960083-B2 Binding protein drug conjugates comprising anthracycline derivatives ABCC1, BCR, HNRNPU SIRT2 2594/4885SIRT1 3694/4885SIRT3 2884/4885

“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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