Sugi Predict

Sugi Predict / Compounds / SCHEMBL11685

SCHEMBL11685

SCHEMBL11685

OC(c1ccc(Br)cc1)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA5A P35218 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ NR1I2 O75469 1/20 0.37
▸ ALOX15 P16050 1/20 0.36
▸ HTR2A P28223 1/20 0.34
▸ CES2 O00748 1/20 0.34
▸ CES1 P23141 1/20 0.34
▸ CTSL P07711 2/20 0.33
▸ CTSB P07858 2/20 0.33
▸ CTSS P25774 2/20 0.33
▸ CTSK P43235 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALOX5 P09917 1/20 0.33
▸ IGF1R P08069 1/20 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
SCHEMBL1589426 1.00 ESR1 (0.39) ESR1ESR2CYP2A6CA1CA2
SCHEMBL609900 1.00 ESR1 (0.39) ESR1ESR2CYP2A6CA1CA2
SCHEMBL14593355 0.87 ESR1 (0.48) ESR1ESR2NR1I2CES2CES1
SCHEMBL5865845 0.86 CYP2A6 (0.38) ESR1ESR2CYP2A6CA1CA2
SCHEMBL20639760 0.84 IGF1R (0.54) IGF1R
SCHEMBL1589521 0.82 CYP1A2 (0.39) CYP2A6CA1CA2CA5ACA9
SCHEMBL7961661 0.82 CA1 (0.35) ESR1ESR2CYP2A6CA1CA2
SCHEMBL2175953 0.78 ESR1 (0.65) ESR1ESR2CA1CA2CA5A
SCHEMBL1273068 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1
SCHEMBL1272903 0.78 NR1I2 (0.41) ESR1ESR2NR1I2CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743453-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION Pretzel Therapeutics, Inc. (US) 2026-05-20 — — EP disclosed
EP-4642450-A2 EP2 ANTAGONIST COMPOUNDS Reservoir Neuroscience, Inc. (US) 2025-11-05 — — EP disclosed
US-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND SHOUYAO HOLDINGS BEIJING CO LTD (CN) 2025-07-10 — — US disclosed
US-20250188026-A1 EP2 Antagonist Compounds RESERVOIR NEUROSCIENCE, INC. 2025-06-12 — — US disclosed
US-12297171-B2 EP2 antagonist compounds RESERVOIR NEUROSCIENCE, INC. (US) 2025-05-13 — — US disclosed
WO-2025060974-A1 N-SULFONYL CARBOXAMIDE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海宇道生物技术有限公司 2025-03-27 — — WO disclosed
EP-4501912-A1 NOVEL HETEROCYCLIC COMPOUND Shouyao Holdings (Beijing) Co., Ltd. (CN) 2025-02-05 — — EP disclosed
WO-2025015178-A1 MODULATORS OF MITOCHONDRIAL DNA REPLICATION PRETZEL THERAPEUTICS, INC. (US) 2025-01-16 — — WO disclosed
WO-2024145259-A2 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. (US) 2024-07-04 — — WO disclosed
US-20240182411-A1 EP2 ANTAGONIST COMPOUNDS RESERVOIR NEUROSCIENCE, INC. 2024-06-06 — — US disclosed
US-20060122268-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-06-08 — — US disclosed
WO-2006056047-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA LTD. (CA) 2006-06-01 — — WO disclosed
US-20060111440-A1 Cathepsin cysteine protease inhibitors MERCK CANADA INC. (CA) 2006-05-25 — — US disclosed
EP-1537074-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA INC. (CA) 2005-06-08 — — EP disclosed
WO-2004022526-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS MERCK FROSST CANADA & CO. (CA) 2004-03-18 — — WO disclosed
US-6271248-B1 USED IN TREATING HYPERTENSION, PULMONARY HYPERTENSION, RENAL/ GLOMERULAR/MESANGIAL CELL DISORDERS, ENDOTOXEMIA, ISCHEMIA, TUMOR GROWTH, ATHERSCLEROSIS, RESTENOSIS, SUBARACHNOID HEMORRHAGE, PROSTATIC HYPERTROPHY, CONGESTIVE HEART FAILURE BRISTOL-MYERS SQUIBB COMPANY 2001-08-07 — — US disclosed
US-6080774-A Substituted biphenylsulfonamide endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2000-06-27 — — US disclosed
EP-0623103-B1 PROCESS FOR PRODUCING TRIFLUOROMETHYL KETONES HOECHST SCHERING AGREVO GMBH (DE) 1997-09-03 — — EP disclosed
EP-0768305-A1 N-Isoxazolyl-biphenylsulfonamide derivatives, their preparation and their use as endothelin antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 1997-04-16 — — EP disclosed
US-5608062-A Process for preparing trifluoromethyl ketones HOECHST SCHERING AGREVO GMBH (DE) 1997-03-04 — — 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 (6 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-20250221979-A1 NOVEL HETEROCYCLIC COMPOUND MAPT, MNAT1, MAT2A ESR1 2623/4885ESR2 1692/4885CYP2A6 704/4885
US-20250188026-A1 EP2 Antagonist Compounds PTGER2, PTGER1, PTGES2 ESR1 421/4885ESR2 21/4885CYP2A6 1320/4885
US-12297171-B2 EP2 antagonist compounds PTGER2, PTGER1, PTGES2 ESR1 421/4885ESR2 21/4885CYP2A6 1320/4885
US-20060111440-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSZ ESR1 2278/4885ESR2 1179/4885CYP2A6 3141/4885
US-20060122268-A1 Cathepsin cysteine protease inhibitors CTSB, CTSS, CTSK ESR1 2116/4885ESR2 1025/4885CYP2A6 2194/4885
US-20240182411-A1 EP2 ANTAGONIST COMPOUNDS PTGER2, PTGER1, PTGES2 ESR1 421/4885ESR2 21/4885CYP2A6 1320/4885

“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.