SCHEMBL22190056

SCHEMBL22190056

CC(Nc1csc(-c2cccnc2)n1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.53
CYP19A1 P11511 4/20 0.52
AXL P30530 1/20 0.52
PBRM1 Q86U86 1/20 0.52
MKNK1 Q9BUB5 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
IRAK4 Q9NWZ3 5/20 0.52
CYP2E1 P05181 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2A6 P11509 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2B6 P20813 1/20 0.51
RAB9A P51151 5/20 0.50
NPC1 O15118 3/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HDAC2 Q92769 1/20 0.50
TLR7 Q9NYK1 1/20 0.48
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL22190025 0.85 CDK5 (0.54) CYP19A1RAB9ANPC1KDM4EALDH1A1
SCHEMBL5345865 0.79 CDK5 (0.63) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL6758522 0.76 HDAC6 (0.58) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL22190003 0.76 PDE10A (0.50) CYP19A1RAB9AKDM4EALDH1A1TLR7
SCHEMBL5788420 0.75 CDK5 (0.70) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL5345119 0.73 CDK5 (0.67) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL369871 0.73 HDAC6 (0.72) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL31351012 0.73 HDAC6 (0.72) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL5342305 0.72 CDK5 (0.77) HDAC6CYP19A1AXLPBRM1MKNK1
SCHEMBL13602299 0.72 HDAC6 (0.70) HDAC6CYP19A1AXLPBRM1MKNK1

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-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ZEALAND PHARMA A/S (DK) 2024-09-03 US disclosed
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2023-12-21 US disclosed
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ZEALAND PHARMA A/S (DK) 2023-08-01 US disclosed
US-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ZEALAND PHARMA A/S (DK) 2021-09-07 US disclosed
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ZEALAND PHARMA A/S (DK) 2020-07-09 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 (5 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-11111273-B2 Cyclic peptides multimers targeting alpha-4-beta-7 integrin ITGB7, ITGB4, ITGA4 HDAC6 441/4885CYP19A1 4367/4885AXL 557/4885
US-12077611-B2 Cyclic peptides multimers targeting α4β7 integrin ITGB7, ITGB4, ITGA4 HDAC6 218/4885CYP19A1 4111/4885AXL 492/4885
US-20200216501-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 HDAC6 441/4885CYP19A1 4367/4885AXL 557/4885
US-20230406884-A1 CYCLIC PEPTIDES MULTIMERS TARGETING ALPHA-4-BETA-7 INTEGRIN ITGB7, ITGB4, ITGA4 HDAC6 441/4885CYP19A1 4367/4885AXL 557/4885
US-11713338-B2 Cyclic peptides multimers targeting α-4-β-7 integrin ITGB7, ITGB4, ITGA4 HDAC6 356/4885CYP19A1 4309/4885AXL 426/4885

“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.