SCHEMBL22016782

SCHEMBL22016782

CCc1c(OC)cnn(C)c1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGA4 P13612 6/20 0.38
ITGB7 P26010 6/20 0.38
BRD9 Q9H8M2 3/20 0.38
BRD4 O60885 1/20 0.38
BRPF1 P55201 1/20 0.38
ALDH1A1 P00352 4/20 0.36
ATM Q13315 2/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HTT P42858 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RAB9A P51151 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KAT2B Q92831 1/20 0.35
PDE3B Q13370 1/20 0.35

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
SCHEMBL22016864 0.76 ALDH1A1 (0.41) ITGA4ITGB7BRD9BRD4ALDH1A1
SCHEMBL466352 0.74 ALDH1A1 (0.55) BRD9BRD4ALDH1A1ATMGAA
SCHEMBL31735616 0.74 BPTF (0.46) BRD9BRD4BRPF1ALDH1A1GAA
SCHEMBL4498149 0.74 RAB9A (0.55) ITGA4ITGB7BRD9ALDH1A1ATM
SCHEMBL21737683 0.73 CYP11B2 (0.40) ITGA4ITGB7BRD9ALDH1A1ATM
SCHEMBL466422 0.72 ITGA4 (0.42) ITGA4ITGB7BRD9BRD4ALDH1A1
SCHEMBL22031949 0.71 KAT2B (0.39) ITGA4ITGB7BRD9BRPF1ALDH1A1
SCHEMBL3055509 0.71 ALDH1A1 (0.36) ITGA4ITGB7BRD9ALDH1A1ATM
SCHEMBL20956636 0.70 CA12 (0.43) ITGA4ITGB7ALDH1A1KDM4EHTT
SCHEMBL24312389 0.69 LMNA (0.53) BRD9BRD4BRPF1KDM4ERAB9A

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-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2020-05-21 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-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB7 1/4885BRD9 1617/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 ITGA4 3/4885ITGB7 1/4885BRD9 1617/4885

“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.