SCHEMBL777871

SCHEMBL777871

O=C(O)CC(Br)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.53
GABBR1 Q9UBS5 1/20 0.53
CES2 O00748 2/20 0.52
CES1 P23141 2/20 0.52
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.44
SRC P12931 1/20 0.44
CPA1 P15085 2/20 0.44
CPB1 P15086 1/20 0.44
CPA3 P15088 1/20 0.44
CPB2 Q96IY4 1/20 0.44
MAPT P10636 1/20 0.43
LMNA P02545 2/20 0.43
MAPK1 P28482 1/20 0.43
FFAR1 O14842 1/20 0.42

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
SCHEMBL27807868 0.83 KMT2A (0.42) CYP2C19CYP2D6
SCHEMBL29239959 0.83 ESR1 (0.43) GABBR2GABBR1CYP2C19CYP2D6SRC
SCHEMBL2655629 0.83 CES2 (0.48) GABBR2GABBR1CES2CES1CYP2D6
SCHEMBL22319291 0.83 CES2 (0.48) GABBR2GABBR1CES2CES1CYP2D6
SCHEMBL7470869 0.83 CYP2C19 (0.51) GABBR2GABBR1CES2CES1CYP2C19
SCHEMBL12473262 0.81 GABBR2 (0.57) GABBR2GABBR1CES2CES1CYP2C19
SCHEMBL7757013 0.81 TSHR (0.57) CES2CES1CYP2C19MAPTLMNA
SCHEMBL28787354 0.81 FFAR1 (0.49) CYP2C19CYP2D6LMNAFFAR1
SCHEMBL27828421 0.81 KMT2A (0.59) GABBR2GABBR1CYP2C19CYP2D6LMNA
SCHEMBL27782037 0.79 HDAC4 (0.47) CES2CES1MAPTMAPK1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260091024-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-04-02 US disclosed
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE BIOHAVEN THERAPEUTICS LTD (US) 2026-02-12 US disclosed
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-11 US disclosed
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-12-04 US disclosed
US-12472165-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (VG) 2025-11-18 US disclosed
US-20250332148-A1 RILUZOLE PRODRUGS AND THEIR USE BIOHAVEN THERAPEUTICS LTD (US) 2025-10-30 US disclosed
US-12295942-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (VG) 2025-05-13 US disclosed
US-20250129020-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2025-04-24 US disclosed
US-12213965-B2 Riluzole prodrugs and their use BIOHAVEN THERAPEUTICS LTD. (VG) 2025-02-04 US disclosed
US-12195427-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2025-01-14 US disclosed
WO-1999059587-A1 ANTI-VIRAL COMPOUNDS ELI LILLY AND COMPANY (US) 1999-11-25 WO disclosed
WO-1999018099-A1 ARYL THIOPHENE DERIVATIVES AS PDE IV INHIBITORS MERCK FROSST CANADA & CO. (CA) 1999-04-15 WO disclosed
US-5137884-A Antibiotics MERCK & CO., INC. (US) 1992-08-11 US disclosed
US-4501896-A Phenylmercaptotetrazolo- and nitroindazolo masked development/image modifiers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-02-26 US disclosed
US-4343893-A RELEASED VIA ELECTRON TRANSFER E. I. DU PONT DE NEMOURS AND COMPANY (US) 1982-08-10 US disclosed
US-4238328-A ADSORBENT COMPRISING POLYNITROGEN COMPOUND, A CARBOXYLIC ACID AND A CROSSLINKING COMPOUND CIBA-GEIGY CORPORATION (US) 1980-12-09 US disclosed
US-4144190-A FOR HEAVY METAL IONS CIBA-GEIGY AG (CH) 1979-03-13 US disclosed
US-4024273-A Coronary vasodilator and anti-anginal compositions comprising substituted benzofurans and benzothiophenes and methods of producing coronary vasodilation and anti-anginal activity SMITHKLINE CORPORATION (US) 1977-05-17 US disclosed
US-3983245-A CORONARY VASODILATORS SMITHKLINE CORPORATION (US) 1976-09-28 US disclosed
US-3947470-A CORONARY VASODILATORS, TREATMENT OF ANGINA PECTORIS SMITHKLINE CORPORATION (US) 1976-03-30 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 (10 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-20260091024-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE IL6ST, GFRA3, GFRA1 GABBR2 245/4885GABBR1 270/4885CES2 71/4885
US-20250368604-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 GABBR2 4000/4885GABBR1 4322/4885CES2 508/4885
US-12195427-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 GABBR2 4000/4885GABBR1 4322/4885CES2 508/4885
US-20260041673-A1 PRODRUGS OF RILUZOLE AND THEIR METHOD OF USE GFRA3, IL6ST, GFRA1 GABBR2 271/4885GABBR1 297/4885CES2 67/4885
US-20250376443-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 GABBR2 3850/4885GABBR1 4160/4885CES2 550/4885
US-12472165-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 GABBR2 1917/4885GABBR1 1946/4885CES2 54/4885
US-12295942-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 GABBR2 1917/4885GABBR1 1946/4885CES2 54/4885
US-20250332148-A1 RILUZOLE PRODRUGS AND THEIR USE APEH, ALDH1A2, UGT1A9 GABBR2 1917/4885GABBR1 1946/4885CES2 54/4885
US-12213965-B2 Riluzole prodrugs and their use APEH, ALDH1A2, UGT1A9 GABBR2 1917/4885GABBR1 1946/4885CES2 54/4885
US-20250129020-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 GABBR2 4000/4885GABBR1 4322/4885CES2 508/4885

“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.