SCHEMBL19340296

SCHEMBL19340296

CCC(C)NC(C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC=O)cc1)C(C)C

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FURIN P09958 3/20 0.40
▸ HTT P42858 1/20 0.39
▸ SIRT2 Q8IXJ6 8/20 0.38
▸ SIRT1 Q96EB6 7/20 0.38
▸ SIRT3 Q9NTG7 3/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ SIRT5 Q9NXA8 2/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 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
SCHEMBL18431308 0.89 FURIN (0.41) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL19389191 0.87 SIRT2 (0.41) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL22541220 0.86 FURIN (0.40) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL25018417 0.86 FURIN (0.40) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL21883411 0.86 SIRT2 (0.39) SIRT2SIRT1SIRT3SMN1; SMN2SIRT5
SCHEMBL25490828 0.84 HTT (0.41) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL19633170 0.83 SIRT2 (0.39) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL19633304 0.82 SPHK1 (0.41) SIRT2SIRT1SIRT3SMN1; SMN2SIRT5
SCHEMBL25124339 0.82 FURIN (0.43) FURINHTTSIRT2SIRT1SIRT3
SCHEMBL24329149 0.82 SIRT2 (0.41) SIRT2SIRT1SIRT3SMN1; SMN2SIRT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10780096-B2 Pyrrolobenzodiazepine-antibody conjugates ADC THERAPEUTICS SA (CH) 2020-09-22 — — US disclosed
US-20170258934-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES OWL ROCK OPPORTUNISTIC MASTER FUND I, L.P. 2017-09-14 — — 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-20170258934-A1 PYRROLOBENZODIAZEPINE-ANTIBODY CONJUGATES IL2RA, CD2, CD4 FURIN 3172/4885HTT 2283/4885SIRT2 663/4885
US-10780096-B2 Pyrrolobenzodiazepine-antibody conjugates IL2RA, CD2, CD4 FURIN 3172/4885HTT 2283/4885SIRT2 663/4885

“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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