SCHEMBL24437013

SCHEMBL24437013

O=c1[nH]c2ccccc2cc1SS

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DAO P14920 2/20 0.55
▸ BRD4 O60885 1/20 0.55
▸ DDO Q99489 1/20 0.55
▸ KDR P35968 2/20 0.51
▸ CHEK1 O14757 1/20 0.51
▸ GRIN2D O15399 2/20 0.48
▸ GRIN3B O60391 2/20 0.48
▸ GRIN1 Q05586 2/20 0.48
▸ GRIN2A Q12879 2/20 0.48
▸ GRIN2B Q13224 2/20 0.48
▸ GRIN2C Q14957 2/20 0.48
▸ GRIN3A Q8TCU5 2/20 0.48
▸ PDGFRB P09619 1/20 0.45
▸ FGFR1 P11362 1/20 0.45
▸ KDM4E B2RXH2 5/20 0.45
▸ HPGD P15428 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ CYP2A6 P11509 1/20 0.43
▸ AOC3 Q16853 2/20 0.42

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
SCHEMBL24312485 0.81 BRD4 (0.59) DAOBRD4DDOKDRCHEK1
SCHEMBL28901781 0.79 DAO (0.51) DAOBRD4DDOKDRCHEK1
SCHEMBL28465606 0.77 DAO (0.50) DAOBRD4DDOKDRCHEK1
SCHEMBL30278825 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL10481645 0.75 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL22035463 0.71 BRD4 (0.51) DAOBRD4DDOKDRCHEK1
SCHEMBL10617 0.71 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL4460778 0.71 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL1238471 0.71 DAO (0.60) DAOBRD4DDOKDRCHEK1
SCHEMBL1394237 0.71 DAO (0.60) DAOBRD4DDOKDRCHEK1

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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — 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-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 DAO 4439/4885BRD4 1726/4885DDO 4339/4885

“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.

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