SCHEMBL2153144

SCHEMBL2153144

Cc1cccc(C(C)C(=O)Cl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.46
AKR1C3 P42330 1/20 0.44
AKR1C2 P52895 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
PTGS1 P23219 3/20 0.42
MAPT P10636 3/20 0.42
LMNA P02545 3/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
PTGS2 P35354 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL10980506 0.88 PTGS1 (0.47) PTGS1MAPTLMNACXCR1CXCR2
SCHEMBL10920070 0.83 ACP3 (0.45) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL29948859 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL15695550 0.82 AKR1C3 (0.49) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL3240938 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1651840 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL1492650 0.82 PTGS1 (0.61) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL20230822 0.82 AKR1C3 (0.49) ACP3AKR1C3AKR1C2PSEN1PSEN2
SCHEMBL27586341 0.82 MAPT (0.48) PTGS1MAPTLMNACXCR1CXCR2
SCHEMBL4908848 0.82 MAPT (0.48) PTGS1MAPTLMNACXCR1CXCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112341362-B Cis-para-substituted cyclohexyl amino nitrile malate, and preparation and application thereof 永农生物科学有限公司 2022-08-02 CN claimed
CN-112341362-A Cis-para-substituted cyclohexyl amino nitrile malate, and preparation and application thereof 永农生物科学有限公司 2021-02-09 CN claimed
CN-111072470-A Method for preparing 2, 5-dimethyl phenylacetyl chloride 大连奇凯医药科技有限公司 2020-04-28 CN claimed
CN-109369378-B Synthetic method of insecticide spirotetramat intermediate 2, 5-dimethyl phenylacetyl chloride 山东省农药科学研究院 2020-02-18 CN claimed
CN-112341362-B Cis-para-substituted cyclohexyl amino nitrile malate, and preparation and application thereof 永农生物科学有限公司 2022-08-02 CN disclosed
CN-114409664-A Spiro-heterocyclic tetrahydropyran compound and preparation method and application thereof 河北威远生物化工有限公司 2022-04-29 CN disclosed
CN-112341362-A Cis-para-substituted cyclohexyl amino nitrile malate, and preparation and application thereof 永农生物科学有限公司 2021-02-09 CN disclosed
CN-111072470-A Method for preparing 2, 5-dimethyl phenylacetyl chloride 大连奇凯医药科技有限公司 2020-04-28 CN disclosed
CN-111072470-A Method for preparing 2, 5-dimethyl phenylacetyl chloride 大连奇凯医药科技有限公司 2020-04-28 CN disclosed
CN-111072470-A Method for preparing 2, 5-dimethyl phenylacetyl chloride 大连奇凯医药科技有限公司 2020-04-28 CN disclosed
CN-109369378-B Synthetic method of insecticide spirotetramat intermediate 2, 5-dimethyl phenylacetyl chloride 山东省农药科学研究院 2020-02-18 CN disclosed
CN-109369378-B Synthetic method of insecticide spirotetramat intermediate 2, 5-dimethyl phenylacetyl chloride 山东省农药科学研究院 2020-02-18 CN disclosed
CN-109928868-A The synthetic method and its application of bis- (2,5- 3,5-dimethylphenyl) the propyl- 2- ketone of 1,3- 河北科技大学 2019-06-25 CN disclosed
US-9365584-B2 Thieno [2,3-B] pyridinedione activators of AMPK and therapeutic uses thereof POXEL (FR) 2016-06-14 US disclosed
EP-2519527-B1 THIENO[2,3-B]PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2013-12-18 EP disclosed
WO-2013152272-A1 ΑΖΑ-β-LACTAM COMPOUNDS AND METHODS OF USING THE SCRIPPS RESEARCH INSTITUTE (US) 2013-10-10 WO disclosed
US-20130053401-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2013-02-28 US disclosed
EP-2519527-A1 THIENO [2,3-B]PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF Poxel (FR) 2012-11-07 EP disclosed
WO-2011080277-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF POXEL (FR) 2011-07-07 WO disclosed
WO-2010018435-A1 AMIDE GLYCOSIDES HETERO RESEARCH FOUNDATION (IN) 2010-02-18 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 (1 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-20130053401-A1 THIENO [2,3-B] PYRIDINEDIONE ACTIVATORS OF AMPK AND THERAPEUTIC USES THEREOF PRKAB1, PRKAG1, PRKAB2 ACP3 669/4885AKR1C3 547/4885AKR1C2 518/4885

“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.