SCHEMBL20051730

SCHEMBL20051730

COc1cc(Cl)c(C(=O)NSC)c(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 3/20 0.42
MAPT P10636 3/20 0.40
JAK2 O60674 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
FLT1 P17948 1/20 0.37
FLT4 P35916 1/20 0.37
KDR P35968 1/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CYP3A4 P08684 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 1/20 0.36
P2RX1 P51575 1/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL14818820 0.80 PLK1 (0.48) TYK2MAPTJAK2TAS1R3TAS1R1
SCHEMBL14818812 0.77 TYK2 (0.43) TYK2JAK2TAS1R3TAS1R1KDM4E
SCHEMBL20051613 0.76 LMNA (0.49) TYK2GAAKDM4EALDH1A1HPGD
SCHEMBL7282028 0.76 CYP3A4 (0.55) TYK2MAPTJAK2GAAKDM4E
SCHEMBL20322985 0.74 ALDH1A1 (0.48) TYK2MAPTJAK2TAS1R3TAS1R1
SCHEMBL596707 0.74 KDM4E (0.52) MAPTGAAKDM4EALDH1A1CYP3A4
SCHEMBL11816616 0.74 ALDH1A1 (0.46) TYK2MAPTJAK2TAS1R3TAS1R1
SCHEMBL14993457 0.74 CYP3A4 (0.53) TYK2MAPTKDM4EALDH1A1CYP3A4
SCHEMBL27683482 0.69 CYP3A4 (0.53) CYP3A4KMT2ALMNANPC1CYP2D6
SCHEMBL28154597 0.69 KMT2A (0.49) TYK2CYP3A4HPGDMEN1KMT2A

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 TYK2 1423/4885MAPT 4301/4885JAK2 1524/4885

“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.