Sugi Predict

Sugi Predict / Compounds / SCHEMBL21957007

SCHEMBL21957007

SCHEMBL21957007

COc1cc(F)cc(C(F)(F)F)c1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPAS1 Q99814 1/20 0.41
▸ HTR2A P28223 2/20 0.38
▸ HTR2C P28335 2/20 0.38
▸ NR3C1 P04150 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ AR P10275 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ IDO1 P14902 2/20 0.33
▸ CASR P41180 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ NR3C2 P08235 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL30901285 1.00 EPAS1 (0.41) EPAS1HTR2AHTR2CNR3C1MAPT
SCHEMBL1042619 0.81 CA1 (0.38) EPAS1HTR2AHTR2CARALDH1A1
SCHEMBL23900009 0.75 MAPT (0.47) HTR2AHTR2CMAPTNPSR1ALDH1A1
SCHEMBL5019923 0.75 MAPT (0.38) HTR2AHTR2CMAPTNPSR1ALDH1A1
SCHEMBL22035259 0.74 HTR2A (0.39) HTR2AHTR2CARALDH1A1HPGD
SCHEMBL22037341 0.74 HTR2A (0.36) HTR2AHTR2CARALDH1A1HPGD
SCHEMBL22017132 0.74 HTR2A (0.39) HTR2AHTR2CNR3C1IDO1NR3C2
SCHEMBL13550034 0.74 EPAS1 (0.34) EPAS1ARIDO1
SCHEMBL15286499 0.73 EPAS1 (0.36) EPAS1NOTUMIDO1CYP11B2
SCHEMBL13347573 0.72 NR3C2 (0.49) NR3C1IDO1NR3C2PGR

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4541422-A2 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS Gilead Sciences, Inc. (US) 2025-04-23 — — EP disclosed
US-20250032473-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2025-01-30 — — US disclosed
EP-3873900-B1 IMIDAZO[1,2-A]PYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2025-01-08 — — EP disclosed
EP-3873884-B1 3-(QUINOLIN-8-YL)-1,4-DIHYDROPYRIDO[3,4-D]PYRIMIDIN-2,4-DIONE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS FOR THE TREATMENT OF INFLAMMATORY DISEASES GILEAD SCIENCES INC (US) 2024-12-04 — — EP disclosed
EP-3873605-B1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES INC (US) 2024-10-23 — — EP disclosed
US-12053462-B2 Quinoline derivatives GILEAD SCIENCES, INC. (US) 2024-08-06 — — US disclosed
CN-112969504-B Compounds for inhibiting alpha 4 beta 7 integrin 吉利德科学公司 2024-04-09 — — CN disclosed
US-20230041518-A1 QUINOLINE DERIVATIVES GILEAD SCIENCES, INC. 2023-02-09 — — US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN GILEAD SCIENCES, INC. (US) 2022-05-19 — — US disclosed
EP-3873884-A1 QUINOLINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
EP-3873605-A1 COMPOUNDS FOR INHIBITION OF ALPHA4BETA7 INTEGRIN GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
EP-3873900-A1 IMIDAZOPYRIDINE DERIVATIVES AS ALPHA4BETA7 INTEGRIN INHIBITORS GILEAD SCIENCES, INC. (US) 2021-09-08 — — EP disclosed
CN-112969700-A Imidazopyridine derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 — — CN disclosed
CN-112969687-A Quinoline derivatives as alpha 4 beta 7 integrin inhibitors 吉利德科学公司 2021-06-15 — — CN disclosed
CN-112969504-A Compounds for inhibiting alpha 4 beta 7 integrins 吉利德科学公司 2021-06-15 — — CN disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin GILEAD SCIENCES, INC. 2020-05-28 — — US disclosed
US-20200155538-A1 QUINOLINE DERIVATIVES 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 (7 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-12053462-B2 Quinoline derivatives CFTR, NQO1, IRF3 EPAS1 2525/4885HTR2A 1691/4885HTR2C 804/4885
US-20200163953-A1 Compounds for Inhibition of Alpha 4 Beta 7 Integrin ITGB7, ITGB4, ITGA4 EPAS1 2846/4885HTR2A 4619/4885HTR2C 4303/4885
US-20230041518-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 EPAS1 2525/4885HTR2A 1691/4885HTR2C 804/4885
US-20200155538-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 EPAS1 2525/4885HTR2A 1691/4885HTR2C 804/4885
US-20220152014-A1 COMPOUNDS FOR INHIBITION OF ALPHA 4 BETA 7 INTEGRIN ITGB7, ITGB4, ITGA4 EPAS1 2846/4885HTR2A 4619/4885HTR2C 4303/4885
US-20200165248-A1 IMIDAZOPYRIDINE DERIVATIVES TPMT, IRAK4, CFTR EPAS1 3272/4885HTR2A 3478/4885HTR2C 3175/4885
US-20250032473-A1 QUINOLINE DERIVATIVES CFTR, NQO1, IRF3 EPAS1 2525/4885HTR2A 1691/4885HTR2C 804/4885

“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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