Sugi Predict

Sugi Predict / Compounds / SCHEMBL96817

SCHEMBL96817

SCHEMBL96817

CC(C=O)c1ccc(Cl)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 1/20 0.50
▸ FFAR2 O15552 3/20 0.46
▸ TYR P14679 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TSHR P16473 3/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ HIF1A Q16665 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ LMNA P02545 2/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ CYP2A6 P11509 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ IDO1 P14902 1/20 0.37
▸ TDO2 P48775 1/20 0.37
▸ CYP19A1 P11511 1/20 0.37
▸ ALOX15 P16050 1/20 0.36

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
SCHEMBL11815736 1.00 ADRB2 (0.50) ADRB2FFAR2TYRHSD17B10BRD4
SCHEMBL21628043 0.87 TYR (0.46) ADRB2FFAR2TYRTSHRMAPK1
SCHEMBL454717 0.85 TYR (0.58) TYRMAPK1HIF1ALMNAIDO1
SCHEMBL874206 0.85 TYR (0.58) TYRMAPK1HIF1ALMNAIDO1
Methane SCHEMBL28983045 0.83 TYR (0.56) TYRMAPK1HIF1AHPGDIDO1
SCHEMBL29595346 0.80 TYR (0.41) TYR
SCHEMBL11803583 0.80 CYP2A6 (0.42) ADRB2FFAR2TYRTSHRTDP1
SCHEMBL11742637 0.78 CYP2A6 (0.41) ADRB2FFAR2TYRTDP1LMNA
SCHEMBL4831627 0.78 CYP2A6 (0.44) TYRTDP1LMNAHPGDCYP2A6
SCHEMBL1532439 0.78 CYP2A6 (0.44) TYRTDP1LMNAHPGDCYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHANGHAI PHARMACEUTICALS HOLDING CO., LTD. (CN) 2024-09-26 — — US disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
EP-4273129-A1 RORgammaT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-11-08 — — EP disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
CN-115141146-A Synthesis method of hypoglycemic active compound 1,2, 3-trimethyl-4- (p-chlorophenyl) -pyrazolium salt 东力（南通）化工有限公司 2022-10-04 — — CN disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 — — WO disclosed
WO-2022143771-A1 RORγT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海医药集团股份有限公司 2022-07-07 — — WO disclosed
CN-114685363-A ROR gamma t regulator, preparation method and application thereof 上海医药集团股份有限公司 2022-07-01 — — CN disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 — — US disclosed
CN-113891882-A Method for producing dihydroisoxazole 组合化学工业株式会社 2022-01-04 — — CN disclosed
EP-0126635-A2 Novel oxindole derivative OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-28 — — EP disclosed
US-4409220-A Fused-ring amino-pyrazines as bradycardiac agents DR. KARL THOMAE GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-10-11 — — US disclosed
US-4364952-A Certain 1,4-dihydro-2,6-dimethyl-3,5-pyridine-dicarboxylates, composition containing same and method of use BAYER AKTIENGESELLSCHAFT (DE) 1982-12-21 — — US disclosed
EP-0042093-A2 4-Aralkyl-1,4-dihydropyridines, processes for praparing them, their use as medicines and preparation thereof BAYER AG (DE) 1981-12-23 — — EP disclosed
US-3944595-A PROSTAGLANDIN THE UPJOHN COMPANY (US) 1976-03-16 — — US disclosed
US-3933900-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933895-A PROSTAGLANDINS, ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933898-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933899-A ANTIULCER, ANTICOAGULANTS, NASAL PATENCY, LABOR INDUCERS, WOUND HEALING THE UPJOHN COMPANY (US) 1976-01-20 — — US disclosed
US-3933897-A ANTIULCER, ASTHMA, RENAL DYSFUNCTION THE UPJOHN COMPANY (US) 1976-01-20 — — 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 (1 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-20240317686-A1 RORyT MODULATOR, AND PREPARATION METHOD THEREFOR AND APPLICATION THEREOF RORC, RORB, RORA ADRB2 1268/4885FFAR2 135/4885TYR 1550/4885

“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.