SCHEMBL3841276

SCHEMBL3841276

Cc1noc(-c2ccc(CSCCC(=O)O)cc2)c1NC(=O)OC(C)c1ccccc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 19/20 1.00
LPAR3 Q9UBY5 4/20 1.00
LPAR2 Q9HBW0 2/20 1.00
ABCC3 O15438 1/20 0.48
ABCC4 O15439 1/20 0.48
ABCB11 O95342 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2C9 P11712 1/20 0.48
ABCB4 P21439 1/20 0.48
ABCC2 Q92887 1/20 0.48
SLCO1B3 Q9NPD5 1/20 0.48
SLCO1B1 Q9Y6L6 1/20 0.48
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL13283848 0.93 LPAR1 (0.87) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL709655 0.93 LPAR1 (0.86) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4031278 0.93 LPAR1 (0.86) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4033529 0.92 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4030950 0.92 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4030296 0.92 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4032482 0.92 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4032900 0.92 LPAR1 (0.85) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL13385834 0.91 LPAR1 (0.84) LPAR1LPAR3LPAR2ABCC3ABCC4
SCHEMBL4029310 0.90 LPAR1 (0.82) LPAR1LPAR3LPAR2ABCC3ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4724096-A1 GPCR INHIBITORS AND USES THEREOF GPCR Therapeutics, Inc. (KR) 2026-04-15 EP claimed
EP-3699174-B1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2025-11-12 EP claimed
US-20240285587-A1 NOVEL THERAPEUTIC AGENT THAT SUPPRESSES METASTASIS AND PROLIFERATION OF OSTEOSARCOMA AND GLIOMA JAPANESE FOUNDATION FOR CANCER RESEARCH (JP) 2024-08-29 US claimed
WO-2024157207-A1 GPCR INHIBITORS AND USES THEREOF GPCR THERAPEUTICS, INC. (KR) 2024-08-02 WO claimed
CN-118340893-A Application of substance for regulating lysophosphatidic acid receptor 3 in preparation of products for regulating and controlling kidney EPO (EPO) expression 北京师范大学 2024-07-16 CN claimed
CN-118055777-A Novel therapeutic agent for inhibiting metastasis and proliferation of osteosarcoma and glioma 公益财团法人癌研究会 2024-05-17 CN claimed
EP-4360650-A1 NOVEL THERAPEUTIC AGENT THAT SUPPRESSES METASTASIS AND PROLIFERATION OF OSTEOSARCOMA AND GLIOMA Japanese Foundation For Cancer Research (JP) 2024-05-01 EP claimed
CN-117645970-A Efficient and rapid acquisition of human pluripotent stem cells by using chemical re-editing method 广州百康细胞生命科技有限公司 2024-03-05 CN claimed
US-11850230-B2 Composition for preventing or treating TNF-related diseases, containing novel derivative as active ingredient, and method for inhibiting TNF activity by using same ILAB (KR) 2023-12-26 US claimed
US-20230390250-A1 MODULATION OF GLUCAGON-LIKE PEPTIDE 1 AND USES THEREOF DUNCAN ROBIN ELAINE (CA) 2023-12-07 US claimed
US-20230099574-A1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING NOVEL DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME ILAB (KR) 2023-03-30 US claimed
CN-115814081-A Novel inhibitors for blocking viral replication, excessive inflammation and damage to infected organs 国科大杭州高等研究院 2023-03-21 CN claimed
WO-2022270621-A1 NOVEL THERAPEUTIC AGENT THAT SUPPRESSES METASTASIS AND PROLIFERATION OF OSTEOSARCOMA AND GLIOMA 公益財団法人がん研究会 2022-12-29 WO claimed
CN-115487299-A Primary ciliary regulation of biological rhythms and related applications thereof 中国人民解放军军事科学院军事医学研究院 2022-12-20 CN claimed
WO-2022087749-A1 MODULATION OF GLUCAGON-LIKE PEPTIDE 1 AND USES THEREOF DUNCAN ROBIN ELAINE (CA) 2022-05-05 WO claimed
CN-114306607-A Primary ciliary regulation of biological rhythms and related applications thereof 中国人民解放军军事科学院军事医学研究院 2022-04-12 CN claimed
EP-1364659-B1 REMEDIES FOR URINARY DISEASES COMPRISING LPA RECEPTOR CONTROLLING AGENTS ONO PHARMACEUTICAL CO (JP) 2009-11-11 EP claimed
EP-1258484-B1 NOVEL ISOXAZOLE AND THIAZOLE COMPOUNDS AND USE THEREOF AS DRUGS KYOWA HAKKO KIRIN CO LTD (JP) 2009-01-14 EP claimed
EP-1415667-B1 PANCREATIC JUICE SECRETION REGULATORS COMPRISING LPA RECEPTOR CONTROLLER ONO PHARMACEUTICAL CO (JP) 2008-09-03 EP claimed
US-6964975-B2 Isoxazole and thiazole compounds and use thereof as medicine KIRIN BEER KABUSHIKI KAISHA (JP) 2005-11-15 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-11850230-B2 Composition for preventing or treating TNF-related diseases, containing novel derivative as active ingredient, and method for inhibiting TNF activity by using same TNF, NFKBIA, TRAF6 LPAR1 3722/4885LPAR3 3251/4885LPAR2 3733/4885
US-20230099574-A1 COMPOSITION FOR PREVENTING OR TREATING TNF-RELATED DISEASES, CONTAINING NOVEL DERIVATIVE AS ACTIVE INGREDIENT, AND METHOD FOR INHIBITING TNF ACTIVITY BY USING SAME TNF, NFKBIA, TRAF6 LPAR1 3722/4885LPAR3 3251/4885LPAR2 3733/4885

“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.