SCHEMBL12836787

SCHEMBL12836787

O=Nc1ccc(OC(=O)OCc2ccc(NC(=O)[C@H](CCCCNC(c3ccccc3)(c3ccccc3)c3ccc(O)cc3)NC(=O)[C@H](Cc3ccccc3)NC(=O)CCCCCN3C(=O)C=CC3=O)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ SIRT5 Q9NXA8 3/20 0.39
▸ SIRT2 Q8IXJ6 7/20 0.35
▸ SIRT1 Q96EB6 5/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ PSMB1 P20618 5/20 0.35
▸ PSMB5 P28074 5/20 0.35
▸ PSMB2 P49721 5/20 0.35
▸ SIRT3 Q9NTG7 3/20 0.35
▸ CALCRL Q16602 1/20 0.35
▸ CTSL P07711 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34

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
SCHEMBL10198897 0.87 SSTR3 (0.44) SIRT2SIRT1HDAC1PSMB1PSMB5
SCHEMBL22698598 0.82 HDAC8 (0.51) SIRT5SIRT2SIRT1HDAC1SIRT3
SCHEMBL12836356 0.81 FOLH1 (0.42) —
SCHEMBL20143906 0.79 HDAC8 (0.39) SIRT5SIRT2SIRT1HDAC1SIRT3
SCHEMBL15704359 0.78 HDAC8 (0.46) SIRT2SIRT1HDAC1PSMB5SIRT3
SCHEMBL12435181 0.78 FOLH1 (0.44) —
SCHEMBL16847583 0.76 HDAC8 (0.55) SIRT5SIRT2SIRT1HDAC1SIRT3
SCHEMBL29649540 0.76 FOLH1 (0.45) —
SCHEMBL16266210 0.76 SSTR3 (0.44) PSMB1PSMB5PSMB2CTSL
SCHEMBL13893442 0.76 FAP (0.45) SIRT2SIRT1SIRT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS, INC. (US) 2011-03-17 — — US disclosed
US-7829531-B2 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC. (US) 2010-11-09 — — US disclosed
US-7659241-B2 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2010-02-09 — — US disclosed
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative SEATTLE GENETICS, INC. (US) 2009-12-31 — — 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 (2 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-20110064753-A1 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE CD47, CD2, CD22 SIRT5 2032/4885SIRT2 3033/4885SIRT1 2283/4885
US-20090324621-A1 monoclonal antibody conjugated with peptide drug such as dolastatin derivative DAD1, DDOST, STT3A SIRT5 999/4885SIRT2 2395/4885SIRT1 1843/4885

“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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