SCHEMBL22035463

SCHEMBL22035463

CC(SS)c1cc2ccccc2[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.51
KDR P35968 2/20 0.49
CHEK1 O14757 1/20 0.49
DAO P14920 1/20 0.47
DDO Q99489 1/20 0.47
KDM4E B2RXH2 10/20 0.46
TSHR P16473 4/20 0.46
HSD17B10 Q99714 2/20 0.44
PDGFRB P09619 1/20 0.43
FGFR1 P11362 1/20 0.43
GRIN2D O15399 2/20 0.42
GRIN3B O60391 2/20 0.42
GRIN1 Q05586 2/20 0.42
GRIN2A Q12879 2/20 0.42
GRIN2B Q13224 2/20 0.42
GRIN2C Q14957 2/20 0.42
GRIN3A Q8TCU5 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL828487 0.82 BRD4 (0.59) BRD4KDRCHEK1DAODDO
Hydrochloric Acid SCHEMBL22159198 0.78 BRD4 (0.54) BRD4KDRCHEK1DAODDO
SCHEMBL20621731 0.76 BRD4 (0.53) BRD4KDRCHEK1DAODDO
SCHEMBL8647980 0.75 DAO (0.51) BRD4KDRCHEK1DAODDO
SCHEMBL24437013 0.71 DAO (0.55) BRD4KDRCHEK1DAODDO
SCHEMBL30838562 0.71 KDM4E (0.49) BRD4KDRCHEK1DAODDO
SCHEMBL5475936 0.71 KDM4E (0.48) BRD4KDRCHEK1DAODDO
SCHEMBL27968059 0.69 KDM4E (0.50) BRD4DAODDOKDM4ETSHR
SCHEMBL248620 0.69 BRD4 (1.00) BRD4KDRCHEK1DAODDO
SCHEMBL10481645 0.69 DAO (0.60) BRD4KDRCHEK1DAODDO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11179383-B2 Compounds for inhibition of α4β7 integrin GILEAD SCIENCES, INC. (US) 2021-11-23 US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 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 (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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 BRD4 1726/4885KDR 1804/4885CHEK1 4046/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 BRD4 1525/4885KDR 642/4885CHEK1 4410/4885

“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.