SCHEMBL21955264

SCHEMBL21955264

CC1(C)Cc2c(CBr)ccc(Br)c2O1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EZH2 Q15910 1/20 0.33
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL17535572 0.85 EZH2 (0.34) EZH2
SCHEMBL23027467 0.76 ALDH1A1 (0.34) EZH2ALDH1A1SMN1; SMN2
SCHEMBL21955373 0.75 NOS3 (0.36) EZH2ALDH1A1
SCHEMBL21955372 0.75 NOS3 (0.36) EZH2ALDH1A1
SCHEMBL17535618 0.72 EZH2 (0.32) EZH2ALDH1A1SMN1; SMN2
SCHEMBL21955174 0.72
SCHEMBL3451196 0.71 KDM4E (0.42) ALDH1A1
SCHEMBL8388701 0.70 ALDH1A1 (0.32) EZH2ALDH1A1SMN1; SMN2
SCHEMBL30813517 0.69 ALDH1A1 (0.31) ALDH1A1SMN1; SMN2
SCHEMBL9928247 0.69 CETP (0.33) EZH2ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112996786-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-08-20 CN disclosed
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 EZH2 2843/4885ALDH1A1 823/4885SMN1; SMN2 1977/4885
US-20200155563-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 EZH2 2843/4885ALDH1A1 823/4885SMN1; SMN2 1977/4885
US-11224600-B2 Compounds for inhibition of alpha 4 beta 7 integrin ITGB7, ITGB4, ITGA4 EZH2 2843/4885ALDH1A1 823/4885SMN1; SMN2 1977/4885

“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.