SCHEMBL21323138

SCHEMBL21323138

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

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 1/20 0.57
▸ CTSK P43235 4/20 0.55
▸ CTSS P25774 3/20 0.55
▸ CTSL P07711 2/20 0.55
▸ CTSB P07858 1/20 0.55
▸ REN P00797 3/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.43
▸ C3AR1 Q16581 3/20 0.42
▸ FNTA P49354 1/20 0.42
▸ FNTB P49356 1/20 0.42
▸ POLB P06746 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL29492566 0.91 CAPN1 (0.55) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL29492564 0.91 CAPN1 (0.55) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL16862524 0.89 MEN1 (0.57) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL10190373 0.89 MEN1 (0.57) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL29593510 0.87 CTSK (0.60) CAPN1CTSKCTSSRENMEN1
SCHEMBL25868969 0.87 FOLH1 (0.57) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL16351993 0.87 CAPN1 (0.53) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL30565192 0.86 ITGB3 (0.48) CAPN1CTSKCTSSMEN1GAA
SCHEMBL12244210 0.86 CAPN1 (0.57) CAPN1CTSKCTSSCTSLCTSB
SCHEMBL5555872 0.86 CAPN1 (0.69) CAPN1CTSKCTSSCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer PIERRE FABRE MEDICAMENT (FR) 2022-01-11 — — US disclosed
US-20190269788-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER PIERRE FABRE MEDICAMENT (FR) 2019-09-05 — — US disclosed
EP-3273998-B1 MAYTANSINOID DERIVATIVES, CONJUGATES THEREOF, AND METHODS OF USE REGENERON PHARMA (US) 2019-09-04 — — EP 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-11219693-B2 Antibody-drug-conjugate and its use for the treatment of cancer DAD1, DDOST, KRTCAP2 CAPN1 3723/4885CTSK 1806/4885CTSS 2185/4885
US-20190269788-A1 ANTIBODY-DRUG-CONJUGATE AND ITS USE FOR THE TREATMENT OF CANCER KRTCAP2, DDOST, DAD1 CAPN1 3355/4885CTSK 1720/4885CTSS 2393/4885

“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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