SCHEMBL21955374

SCHEMBL21955374

O=Cc1ccc(Br)c2c1COCC2

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
IL1RN P18510 1/20 0.33
ERAP2 Q6P179 1/20 0.33
ERAP1 Q9NZ08 1/20 0.33
WNT3A P56704 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
KCNJ1 P48048 1/20 0.32
PIK3CD O00329 1/20 0.30
PIK3CA P42336 1/20 0.30
PIK3CB P42338 1/20 0.30
PIK3CG P48736 1/20 0.30
PRKDC P78527 1/20 0.30
ERN1 O75460 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
SCHEMBL21955310 0.85 KCNJ1 (0.35) IL1RNERAP2ERAP1KCNJ1PIK3CD
SCHEMBL31039569 0.81 IL1RN (0.37) IL1RNERAP2ERAP1WNT3ATNKS2
SCHEMBL21954990 0.81 IL1RN (0.37) IL1RNERAP2ERAP1WNT3ATNKS2
SCHEMBL29711059 0.79 IL1RN (0.36) IL1RNERAP2ERAP1KCNJ1PRKDC
SCHEMBL13249025 0.76 IL1RN (0.34) IL1RNERAP2ERAP1PRKDCERN1
SCHEMBL11813225 0.76 IL1RN (0.34) IL1RNERAP2ERAP1PRKDCERN1
SCHEMBL28992944 0.74 KCNJ1 (0.33) KCNJ1PRKDCERN1
SCHEMBL21955154 0.73 IL1RN (0.36) IL1RNERAP2ERAP1WNT3ATNKS2
SCHEMBL33526079 0.73 IL1RN (0.33) IL1RNERAP2ERAP1WNT3ATNKS2
SCHEMBL28632223 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. 2022-07-21 US disclosed
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin GILEAD SCIENCES, INC. (US) 2022-01-18 US disclosed
EP-3873897-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 EP disclosed
CN-112996786-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-18 CN 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 (3 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-20220226337-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 IL1RN 88/4885ERAP2 3283/4885ERAP1 2796/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 IL1RN 88/4885ERAP2 3283/4885ERAP1 2796/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 IL1RN 88/4885ERAP2 3283/4885ERAP1 2796/4885

“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.