Sugi Predict

Sugi Predict / Compounds / SCHEMBL4476574

SCHEMBL4476574

SCHEMBL4476574

CCCc1cccc(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.42
▸ TAAR1 Q96RJ0 3/20 0.41
▸ AOC3 Q16853 1/20 0.38
▸ CTSL P07711 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ CXCR2 P25025 2/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ CES2 O00748 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ CES1 P23141 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ DAO P14920 1/20 0.35
▸ AKR1B1 P15121 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ GABRA1 P14867 2/20 0.34
▸ GABRB2 P47870 2/20 0.34
▸ IDO1 P14902 2/20 0.34

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
SCHEMBL9419248 0.87 TYR (0.41) RIPK1TAAR1
SCHEMBL7052559 0.85 TAAR1 (0.48) RIPK1TAAR1AOC3CXCR2CES2
SCHEMBL7781643 0.85 LIPG (0.47) RIPK1
SCHEMBL4819280 0.84 LIPG (0.50) —
SCHEMBL8746425 0.84 LIPG (0.50) —
SCHEMBL7533430 0.84 LIPG (0.50) —
SCHEMBL8746449 0.84 LIPG (0.50) —
SCHEMBL4286994 0.84 LIPG (0.50) —
SCHEMBL10336047 0.84 LIPG (0.50) —
SCHEMBL28558278 0.82 CTSL (0.41) RIPK1TAAR1AOC3CTSLCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024030960-A2 COMPOSITIONS AND METHODS FOR INDUCING FERROPTOSIS Kojin Therapeutics, Inc. (US) 2024-02-08 — — WO disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 — — US disclosed
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors D. E. SHAW RESEARCH, LLC (US) 2023-07-18 — — US disclosed
CN-116353168-A Resin laminate, circuit board, electronic component, and electronic device 日铁化学材料株式会社 2023-06-30 — — CN disclosed
CN-116367413-A Metal-clad laminate and circuit board 日铁化学材料株式会社 2023-06-30 — — CN disclosed
EP-3810613-B1 N-SUBSTITUTED TETRAHYDROTHIENOPYRIDINE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2023-01-11 — — EP disclosed
US-11529348-B2 — — 2022-12-20 — — US disclosed
US-20200253969-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS SCHRODINGER, LLC 2020-08-13 — — US disclosed
EP-2975030-B1 DIHYDROPYRIDAZINE-3,5-DIONE DERIVATIVE CHUGAI PHARMACEUTICAL CO LTD (JP) 2020-07-15 — — EP disclosed
WO-2019067864-A1 COMBINATION PHARMACEUTICAL AGENTS AS RSV INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2019-04-04 — — WO disclosed
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-24 — — US disclosed
US-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures MERCK PATENT GMBH (DE) 2005-11-17 — — US disclosed
WO-2004105738-A2 USE OF TETRAHYDROPYRIDINE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-12-09 — — WO disclosed
WO-2004024728-A2 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PHOSPHODIESTERASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-03-25 — — WO disclosed
CN-1327383-A Pharmaceutical for treatment of neurological and neuropsychiatric disorders ALERICS NEUROSCIENCE CO (US) 2001-12-19 — — CN disclosed
EP-0363458-B1 2,3-DIFLUOROBENZENES MERCK PATENT GMBH (DE) 1994-08-03 — — EP disclosed
US-5230827-A DERIVATIVES OF 2,3-DIFLUOROBENZOIC ACID MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1993-07-27 — — US disclosed
US-5087764-A Deprotonation of a 1-substituted-2,3-difluorobenzene using an organometallic compound and reacting the reaction product with an electrophile Merck Patent Gesellschaft mit beschrankter Hafung (DE) 1992-02-11 — — US disclosed
EP-0363458-A1 2,3-DIFLUOROBENZENES. MERCK PATENT GMBH (DE) 1990-04-18 — — EP disclosed
WO-1989008629-A1 PROCESS FOR PREPARING 2,3-DIFLUOROBENZENES MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1989-09-21 — — WO 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 RIPK1 2827/4885TAAR1 4796/4885AOC3 3970/4885
US-11529348-B2 — PTPRCAP, PTPN2, PTPN6 RIPK1 777/4885TAAR1 4180/4885AOC3 4735/4885
US-11701354-B2 Pyrazolo[3,4-b]pyrazine derivatives as SHP2 phosphatase inhibitors PTPN5, PTPN2, PTPN7 RIPK1 484/4885TAAR1 3720/4885AOC3 4052/4885
US-20200253969-A1 PYRAZOLO[3,4-B]PYRAZINE DERIVATIVES AS SHP2 PHOSPHATASE INHIBITORS PTPN5, PTPN2, PPM1A RIPK1 786/4885TAAR1 3548/4885AOC3 3988/4885
US-20050258399-A1 Fluorinated heterocycles and their use in liquid-crystal mixtures CHRM1, AFF1, H1-0 RIPK1 4385/4885TAAR1 288/4885AOC3 138/4885
US-20050255258-A1 Polyfluorinated fused aromatics and their use in liquid-crystal mixtures SCO2, CHRM1, CBR1 RIPK1 3760/4885TAAR1 197/4885AOC3 22/4885

“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.