Sugi Predict

Sugi Predict / Compounds / SCHEMBL2044485

SCHEMBL2044485

SCHEMBL2044485

C=CCC(C)(C)CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.48
▸ FFAR1 O14842 1/20 0.48
▸ CPT2 P23786 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ HMGCR P04035 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ TBXA2R P21731 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ CYP2C19 P33261 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ HIF1A Q16665 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.35
▸ BHMT Q93088 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ ABCC4 O15439 1/20 0.32
▸ TET2 Q6N021 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31

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
SCHEMBL16438125 0.81 HMGCR (0.64) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL299326 0.81 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL10974694 0.81 HMGCR (0.64) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL1954515 0.78 KDM4E (0.50) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL18114213 0.77 TSHR (0.62) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL29618246 0.77 FFAR1 (0.56) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL7343125 0.77 HMGCR (0.41) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL15447196 0.77 NAALAD2 (0.39) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL30854909 0.76 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR
SCHEMBL48109 0.76 KDM4E (0.65) KDM4EFFAR1CPT2TDP1HMGCR

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260014146-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS INC (US) 2026-01-15 — — US disclosed
EP-4562014-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME Cedilla Therapeutics, Inc. (US) 2025-06-04 — — EP disclosed
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMA (US) 2025-04-17 — — US disclosed
EP-4476230-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2024-12-18 — — EP disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 — — WO disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2023-11-14 — — US disclosed
WO-2023154291-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-08-17 — — WO disclosed
US-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-12-01 — — US disclosed
CN-115246901-A Preparation method of olefin-unsaturated carboxylic ester copolymer and copolymer 中国石油化工股份有限公司 2022-10-28 — — CN disclosed
EP-2331552-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-02-27 — — EP disclosed
EP-2331552-A1 HEPATITIS C VIRUS INHIBITORS Bristol-Myers Squibb Company (US) 2011-06-15 — — EP disclosed
WO-2010036551-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-01 — — WO disclosed
US-20100080770-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2010-04-01 — — US disclosed
US-7038064-B2 Process for producing hydroxylactones DIACEL CHEMICAL INDUSTRIES, LTD. (JP) 2006-05-02 — — US disclosed
EP-1302469-B1 PROCESS FOR PRODUCING HYDROXYLACTONE DAICEL CHEM (JP) 2005-03-30 — — EP disclosed
US-20040024228-A1 Process for producing hydroxylactones DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2004-02-05 — — US disclosed
EP-1302469-A1 PROCESS FOR PRODUCING HYDROXYLACTONE Daicel Chemical Industries, Ltd. (JP) 2003-04-16 — — EP 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-20100080770-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL KDM4E 3825/4885FFAR1 3191/4885CPT2 3245/4885
US-20220380380-A1 MACROCYCLIC COMPOUNDS FOR THE TREATMENT OF MEDICAL DISORDERS CFD, TFPI, CFH KDM4E 4570/4885FFAR1 3076/4885CPT2 4663/4885
US-20250122218-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B KDM4E 4100/4885FFAR1 1154/4885CPT2 926/4885
US-20040024228-A1 Process for producing hydroxylactones HAO2, HAO1, DUOX2 KDM4E 3293/4885FFAR1 1301/4885CPT2 409/4885
US-11814391-B2 Macrocyclic compounds for the treatment of medical disorders CFD, TFPI, CFH KDM4E 4570/4885FFAR1 3076/4885CPT2 4663/4885
US-20260014146-A1 CDK2 INHIBITORS AND METHODS OF USING THE SAME CDK2, CDK20, CDK1 KDM4E 3468/4885FFAR1 3594/4885CPT2 2233/4885

“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.