Sugi Predict

Sugi Predict / Compounds / SCHEMBL288273

SCHEMBL288273

SCHEMBL288273

CC(C)C[C@H](N)CC(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 2/20 0.56
▸ CACNB3 P54284 1/20 0.56
▸ CACNA1C Q13936 1/20 0.56
▸ PGR P06401 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ HTR2B P41595 1/20 0.56
▸ CACNA2D2 Q9NY47 1/20 0.56
▸ SLC7A5 Q01650 1/20 0.52
▸ SLC1A3 P43003 1/20 0.45
▸ SLC1A2 P43004 1/20 0.45
▸ ANPEP P15144 4/20 0.44
▸ ERAP1 Q9NZ08 2/20 0.44
▸ ERAP2 Q6P179 1/20 0.44
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ NFKB1 P19838 1/20 0.42
▸ THPO P40225 1/20 0.42
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41

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
SCHEMBL2763515 1.00 CACNA2D1 (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL2377939 1.00 CACNA2D1 (0.56) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL10977884 0.98 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
Hydrochloric Acid SCHEMBL10977886 0.98 CACNA2D1 (0.54) CACNA2D1CACNB3CACNA1CPGRADRA1A
Acetic Acid SCHEMBL2853697 0.95 CACNA2D1 (0.52) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL397004 0.85 GABRP (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL60920 0.85 GABRP (0.46) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL6061178 0.83 BHMT (0.44) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL8510926 0.83 CACNA2D1 (0.43) CACNA2D1CACNB3CACNA1CPGRADRA1A
SCHEMBL27553847 0.82 CACNA2D1 (0.41) CACNA2D1CACNB3CACNA1CPGRADRA1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250332226-A1 COMPOSITIONS AND METHODS FOR TREATING SOLID CANCER EXOXEMIS INC (US) 2025-10-30 — — US claimed
CN-119677528-A Compositions and methods for treating solid cancers 埃欧艾米斯公司 2025-03-21 — — CN claimed
EP-4507793-A1 COMPOSITIONS AND METHODS FOR TREATING SOLID CANCER Exoxemis, Inc. (US) 2025-02-19 — — EP claimed
CN-119324053-A Model and index for evaluating aging delaying effect of estrogen replacement therapy and application of model and index 中国科学院北京基因组研究所(国家生物信息中心) 2025-01-17 — — CN claimed
CN-118173765-A Composite lithium iron manganese phosphate positive electrode material, and preparation method and application thereof 曲靖市德方纳米科技有限公司 2024-06-11 — — CN claimed
US-20240109937-A1 BINDING PEPTIDES AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY 2024-04-04 — — US claimed
CN-117147721-A Method for distinguishing fermented soybeans from fermented soybeans 中南林业科技大学 2023-12-01 — — CN claimed
EP-4251638-A1 PEPTIDES AND USES THEREOF IN MODULATION OF AMYLOID-BETA PROTEIN DEGRADING PROTEASES UNIVERSITY OF QUEENSLAND (AU) 2023-10-04 — — EP claimed
WO-2022170196-A1 BINDING PEPTIDES AND USES THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2022-08-11 — — WO claimed
WO-2022109679-A1 PEPTIDES AND USES THEREOF IN MODULATION OF AMYLOID-BETA PROTEIN DEGRADING PROTEASES UNIVERSITY OF QUEENSLAND (AU) 2022-06-02 — — WO claimed
EP-2836485-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2018-01-10 — — EP claimed
US-9695191-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2017-07-04 — — US claimed
EP-2499148-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2017-01-18 — — EP claimed
US-9512139-B2 Conformationally constrained, fully synthetic macrocyclic compounds POLYPHOR AG (CH) 2016-12-06 — — US claimed
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2015-02-19 — — US claimed
EP-2836485-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS Polyphor Ag (CH) 2015-02-18 — — EP claimed
EP-2462147-B1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2014-11-12 — — EP claimed
WO-2013139697-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2013-09-26 — — WO claimed
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-10-25 — — US claimed
US-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS POLYPHOR AG (CH) 2012-08-09 — — 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 (3 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-20120202821-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS HTR2B, MC1R, HTR1A CACNA2D1 3392/4885CACNB3 1949/4885CACNA1C 1852/4885
US-20120270881-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS KCNB1, KCNAB1, KCNMB1 CACNA2D1 125/4885CACNB3 122/4885CACNA1C 75/4885
US-20150051183-A1 CONFORMATIONALLY CONSTRAINED, FULLY SYNTHETIC MACROCYCLIC COMPOUNDS CTSE, CTSB, CTSS CACNA2D1 3496/4885CACNB3 655/4885CACNA1C 1980/4885

“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.