SCHEMBL21293862

SCHEMBL21293862

CC(NC(=O)OCc1ccccc1)C(=O)NC(C)C(=O)NC(CC(N)=O)C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.53
SYK P43405 1/20 0.52
PSMB1 P20618 1/20 0.51
BACE1 P56817 6/20 0.51
LGMN Q99538 3/20 0.50
PSMB5 P28074 2/20 0.50
REN P00797 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
PSMB8 P28062 1/20 0.48
PSMB9 P28065 1/20 0.48
MME P08473 1/20 0.48
ECE1 P42892 1/20 0.48

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
SCHEMBL21293859 1.00 CTSK (0.53) CTSKSYKPSMB1BACE1LGMN
SCHEMBL30902906 0.93 REN (0.51) CTSKSYKPSMB1BACE1PSMB5
SCHEMBL6078490 0.90 SYK (0.56) CTSKSYKPSMB1PSMB5ADORA3
SCHEMBL6078485 0.90 SYK (0.56) CTSKSYKPSMB1PSMB5ADORA3
SCHEMBL10931168 0.90 CTSK (0.51) CTSKSYKPSMB1BACE1PSMB5
SCHEMBL10932799 0.89 PSMB5 (0.53) CTSKSYKPSMB1BACE1PSMB5
SCHEMBL24992811 0.88 MME (0.59) CTSKPSMB1LGMNPSMB5REN
SCHEMBL20677213 0.88 MME (0.59) CTSKPSMB1LGMNPSMB5REN
SCHEMBL19384748 0.88 MME (0.59) CTSKPSMB1LGMNPSMB5REN
SCHEMBL14371944 0.88 MME (0.59) CTSKPSMB1LGMNPSMB5REN

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-11806404-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-11-07 US disclosed
US-20210252161-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-08-19 US disclosed
US-10973923-B2 Site specific homogeneous with KSP inhibitors BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-04-13 US disclosed
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2019-08-29 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 (4 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-11806404-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C CTSK 1911/4885SYK 2335/4885PSMB1 755/4885
US-20190262463-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C CTSK 1911/4885SYK 2335/4885PSMB1 755/4885
US-10973923-B2 Site specific homogeneous with KSP inhibitors KIF5B, KIF15, KIF2C CTSK 1911/4885SYK 2335/4885PSMB1 755/4885
US-20210252161-A1 SITE SPECIFIC HOMOGENEOUS WITH KSP INHIBITORS KIF5B, KIF15, KIF2C CTSK 1911/4885SYK 2335/4885PSMB1 755/4885

“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.