SCHEMBL20049911

SCHEMBL20049911

CCCCCCCC(C)(CCCCCC)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
FDPS P14324 10/20 0.45
SMPD1 P17405 2/20 0.45
CES2 O00748 1/20 0.45
GGPS1 O95749 6/20 0.43

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
SCHEMBL4658597 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL14874694 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL4636202 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL4661052 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746314 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746483 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746312 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746506 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL20746396 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1
SCHEMBL28728575 1.00 FDPS (0.45) FDPSSMPD1CES2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107441766-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-06-08 CN claimed
CN-107619950-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-04-20 CN claimed
CN-107447117-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2021-01-19 CN claimed
CN-107447109-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2020-08-07 CN claimed
CN-107619934-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN claimed
CN-107619933-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN claimed
CN-107619930-B Application of amide compounds, extraction composition containing amide compounds and extraction system 中国科学院上海有机化学研究所 2020-08-07 CN claimed
US-11702401-B2 Compounds and methods of use MEDIVATION TECHNOLOGIES LLC (US) 2023-07-18 US disclosed
US-20230140395-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND USE THEREOF INDUSTRY-UNIVERSITY COOPERATION FOUNDATION HANYANG UNIVERSITY ERICA CAMPUS (KR) 2023-05-04 US disclosed
US-20230067355-A1 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one Derivatives Useful As Factor XIa Inhibitors JANSSEN PHARMACEUTICA NV (BE) 2023-03-02 US disclosed
US-20220000847-A1 Compounds and Methods of Use MEDIVATION TECHNOLOGIES LLC (US) 2022-01-06 US disclosed
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2021-07-20 US disclosed
CN-107441766-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2021-06-08 CN disclosed
CN-107619934-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107447109-B Extraction composition, extraction system, extraction method and back extraction method 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
CN-107619934-B Extraction composition, extraction system and application thereof 中国科学院上海有机化学研究所 2020-08-07 CN disclosed
US-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF GUANGZHOU MAXINOVEL PHARMACEUTICALS CO., LTD. (CN) 2020-02-13 US disclosed
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER ARAXES PHARMA LLC 2019-08-29 US disclosed
US-20190016896-A1 NOVEL RHODAMINE DYES AND CONJUGATES PHARMACOPHOTONICS, INC. D/B/A FAST DIAGNOSTICS 2019-01-17 US disclosed
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2018-04-12 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 (9 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-20230067355-A1 1,2,3,8,9,9a-hexahydro-5H-pyrrolo[1,2-a]azepin-5-one Derivatives Useful As Factor XIa Inhibitors SERPINE1, SERPINC1, F11 FDPS 1415/4885SMPD1 992/4885CES2 3644/4885
US-20200048270-A1 AMINOPYRIMIDINE FIVE-MEMBERED HETEROCYCLIC COMPOUND, AND INTERMEDIATE, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ADORA2A, ADORA2B, ADORA3 FDPS 1170/4885SMPD1 2966/4885CES2 3817/4885
US-20220000847-A1 Compounds and Methods of Use TGFB2, TGFB1, HDGF FDPS 1451/4885SMPD1 169/4885CES2 2501/4885
US-20180098983-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A FDPS 1614/4885SMPD1 452/4885CES2 893/4885
US-20190016896-A1 NOVEL RHODAMINE DYES AND CONJUGATES RDX, CIT, RCN1 FDPS 2677/4885SMPD1 4053/4885CES2 1193/4885
US-11702401-B2 Compounds and methods of use TGFB2, TGFB1, HDGF FDPS 1451/4885SMPD1 169/4885CES2 2501/4885
US-20190262342-A1 COMBINATION THERAPIES FOR TREATMENT OF CANCER KRAS, TP53, HRAS FDPS 3606/4885SMPD1 1949/4885CES2 4739/4885
US-20230140395-A1 NOVEL IMIDAZOLE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY, AND USE THEREOF MAPKAPK3, MAPK3, MAP3K3 FDPS 3239/4885SMPD1 2842/4885CES2 4734/4885
US-11066413-B2 Aminopyrimidine five-membered heterocyclic compound, and intermediate, preparation method, pharmaceutical composition and application thereof ADORA2A, ADORA2B, ADORA3 FDPS 1170/4885SMPD1 2966/4885CES2 3817/4885

“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.