Sugi Predict

Sugi Predict / Compounds / SCHEMBL2085370

SCHEMBL2085370

SCHEMBL2085370

CC(C(=O)O)C1CCOCC1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ GABRA1 P14867 3/20 0.35
▸ GABRA5 P31644 3/20 0.35
▸ GABRB2 P47870 3/20 0.35
▸ GABRR1 P24046 2/20 0.35
▸ GABRA4 P48169 1/20 0.35
▸ ACE P12821 1/20 0.33
▸ TP53 P04637 1/20 0.32
▸ BCL2A1 Q16548 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ KDM4A O75164 1/20 0.30
▸ KDM4C Q9H3R0 1/20 0.30

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
SCHEMBL15483713 1.00 PIK3CD (0.39) PIK3CDALDH1A1GABRA1GABRA5GABRB2
SCHEMBL9393481 1.00 PIK3CD (0.39) PIK3CDALDH1A1GABRA1GABRA5GABRB2
SCHEMBL16977450 0.87 GABRA1 (0.33) PIK3CDALDH1A1GABRA1GABRA5GABRB2
SCHEMBL1904748 0.83 — —
SCHEMBL4706834 0.83 — —
SCHEMBL14599126 0.83 — —
Ammonia Solution, Strong SCHEMBL27687915 0.80 — —
Hydrochloric Acid SCHEMBL8026838 0.80 — —
SCHEMBL2657375 0.80 PIK3CD (0.38) PIK3CDBCL2A1
SCHEMBL9307 0.78 ACE (0.43) ALDH1A1GABRA1GABRA5GABRB2GABRR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119158034-A Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2024-12-20 — — CN claimed
CN-112601539-A Bicyclic peptide ligands specific for bindin-4 拜斯科技术开发有限公司 2021-04-02 — — CN claimed
US-20260102383-A1 LPAR1 Inhibitors ABBVIE INC (US) 2026-04-16 — — US disclosed
WO-2025226510-A1 LPAR1 INHIBITORS ABBVIE INC. (US) 2025-10-30 — — WO disclosed
CN-119529029-A Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2025-02-28 — — CN disclosed
CN-119405829-A Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2025-02-11 — — CN disclosed
CN-119158034-A Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2024-12-20 — — CN disclosed
CN-119158033-A Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2024-12-20 — — CN disclosed
CN-112566651-B Bicyclic peptide ligands specific for conjugated protein-4 拜斯科技术开发有限公司 2024-12-13 — — CN disclosed
CN-118103075-A Synthesis of bicyclic peptide toxin conjugates and intermediates thereof 拜斯科技术开发有限公司 2024-05-28 — — CN disclosed
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease PFIZER INC. (US) 2024-04-18 — — US disclosed
CN-112566651-A Bicyclic peptide ligands specific for bindin-4 拜斯科技术开发有限公司 2021-03-26 — — CN disclosed
US-20140051626-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2014-02-20 — — US disclosed
US-RE44186-E1 Cyclopropyl-fused pyrrolidine-based inhibitors of dipeptidyl peptidase IV and method BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-30 — — US disclosed
WO-2013027001-A1 COMPOUNDS AND THEIR USE TO TREAT HISTAMINE H3 RELATED DISORDERS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-02-28 — — WO disclosed
US-8163773-B2 Organic compounds NOVARTIS AG (CH) 2012-04-24 — — US disclosed
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-12-01 — — US disclosed
US-20090233920-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-09-17 — — US disclosed
EP-1907359-A2 3,5-SUBSTITUTED PIPERIDINE DERIVATIVES EFFECTIVE ON RENIN-RELATED DISORDERS Novartis AG (CH) 2008-04-09 — — EP disclosed
WO-2007006534-A2 PIPERIDINE DERIVATIVES USEFUL IN THE DIAGNOSTIC AND THERAPEUTIC TREATMENT OF DISEASES DEPENDING ON RENIN ACTIVITY NOVARTIS AG (CH) 2007-01-18 — — 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 (5 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-20090233920-A1 ORGANIC COMPOUNDS REN, ACE, AGTR1 PIK3CD 2170/4885ALDH1A1 39/4885GABRA1 1866/4885
US-20260102383-A1 LPAR1 Inhibitors LPAR1, LPAR6, LPAR2 PIK3CD 673/4885ALDH1A1 1291/4885GABRA1 572/4885
US-20110294780-A1 SUBSTITUTED THIAZOLIDINEDIONE INDAZOLES, INDOLES AND BENZOTRIAZOLES AS ESTROGEN-RELATED RECEPTOR-a MODULATORS ESR2, IGF1R, ESRRA PIK3CD 1942/4885ALDH1A1 2148/4885GABRA1 1146/4885
US-20240124439-A1 Pyrido[2,3-D]Imidazole Derivatives and Their Use As Inhibitors of ITK for the Treatment of Skin Disease ITK, PDXK, HRH4 PIK3CD 145/4885ALDH1A1 1183/4885GABRA1 2780/4885
US-20140051626-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PIK3CD 1022/4885ALDH1A1 3957/4885GABRA1 4448/4885

“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.