Sugi Predict

Sugi Predict / Compounds / SCHEMBL21979262

SCHEMBL21979262

SCHEMBL21979262

Cn1c(=O)c(I)c(C(F)(F)F)c2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PGR P06401 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ EGFR P00533 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ GSK3B P49841 4/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CCNB2 O95067 1/20 0.35
▸ CDK1 P06493 1/20 0.35
▸ CCNB1 P14635 1/20 0.35
▸ CCNB3 Q8WWL7 1/20 0.35
▸ MEN1 O00255 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ EGLN1 Q9GZT9 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ MCL1 Q07820 1/20 0.33
▸ PTGES O14684 1/20 0.33
▸ MAPK8 P45983 2/20 0.33

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
SCHEMBL21977663 0.84 ATM (0.40) PGRNR1H3SRCMEN1KMT2A
SCHEMBL22035484 0.84 PGR (0.37) PGRNR1H3EGFRSRCGSK3B
SCHEMBL22016560 0.81 AR (0.40) PGRNR1H3MAPTRAB9AIDO1
SCHEMBL30901248 0.79 KIF11 (0.44) PGRNR1H3MEN1HTTKMT2A
SCHEMBL21979406 0.79 EGFR (0.39) EGFRSRCGSK3BCYP1A2CCNB2
SCHEMBL21957400 0.79 KIF11 (0.44) PGRNR1H3MEN1HTTKMT2A
SCHEMBL28841060 0.76 KIF11 (0.34) EGFRSRCGSK3BCYP1A2CCNB2
SCHEMBL21978549 0.73 AR (0.49) PGR
SCHEMBL29976895 0.72 HPGD (0.37) PGRNR1H3EGFRSRCGSK3B
SCHEMBL22017183 0.71 AAK1 (0.37) GSK3BDYRK1AMAPK14

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
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 — — EP disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
WO-2023220741-A1 ALPHA 4 BETA 7 INTEGRIN MODULATORS AND USES THEREOF DICE MOLECULES SV, INC. (US) 2023-11-16 — — WO disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
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 (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-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 PGR 3262/4885NR1H3 939/4885EGFR 2321/4885
US-11179383-B2 Compounds for inhibition of α4β7 integrin ITGB7, ITGB4, ITGA4 PGR 3228/4885NR1H3 1545/4885EGFR 2217/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 PGR 3262/4885NR1H3 939/4885EGFR 2321/4885

“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.