SCHEMBL20051825

SCHEMBL20051825

CC(SS)c1c(Cl)n(C)c(=O)n(C)c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.33
MAPK1 P28482 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.31
KDM4E B2RXH2 1/20 0.30
JAK2 O60674 1/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
HTT P42858 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL7793957 0.63 KMT2A (0.43) KMT2AALDH1A1MAPTRXFP1KDM4E
SCHEMBL17242241 0.62 KMT2A (0.39) KMT2AMAPK1ALDH1A1TSHRRXFP1
SCHEMBL22016883 0.62 ITGB1 (0.32)
SCHEMBL14803801 0.60 LMNA (0.43) KMT2AMAPK1ALDH1A1RXFP1KDM4E
SCHEMBL474385 0.59 KMT2A (0.49) KMT2AALDH1A1MAPTTSHRKDM4E
SCHEMBL7802796 0.59 KMT2A (0.40) KMT2AALDH1A1TSHRKDM4EJAK2
SCHEMBL479900 0.58 KDM4E (0.51) KMT2AMAPK1ALDH1A1MAPTNPSR1
SCHEMBL2739588 0.57 ALDH1A1 (0.47) KMT2AALDH1A1MAPTRXFP1KDM4E
SCHEMBL2449385 0.57 KDM4E (0.51) KMT2AMAPK1ALDH1A1MAPTNPSR1
SCHEMBL10838564 0.55 KDM4E (0.48) KMT2AALDH1A1MAPTNPSR1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY HOFFMANN-LA ROCHE, INC. 2018-04-12 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 (1 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-20180099005-A1 CHITOSAN COVALENTLY LINKED WITH SMALL MOLECULE INTEGRIN ANTAGONIST FOR TARGETED DELIVERY ITGB1, ITGA4, ITGB4 KMT2A 3006/4885MAPK1 2119/4885ALDH1A1 2009/4885

“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.