SCHEMBL1840309

SCHEMBL1840309

COC(=O)C(CCCCN)NC(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT2 Q8IXJ6 3/20 0.61
▸ SIRT1 Q96EB6 3/20 0.61
▸ SIRT3 Q9NTG7 3/20 0.61
▸ ITGB3 P05106 4/20 0.57
▸ ITGA2B P08514 4/20 0.57
▸ PRSS1 P07477 2/20 0.57
▸ PRSS2 P07478 2/20 0.57
▸ PRSS3 P35030 2/20 0.57
▸ TPSAB1 Q15661 2/20 0.57
▸ KYNU Q16719 1/20 0.57
▸ TLR2 O60603 2/20 0.56
▸ CA1 P00915 1/20 0.56
▸ CA2 P00918 1/20 0.56
▸ DPP4 P27487 1/20 0.56
▸ ECE1 P42892 1/20 0.55
▸ CPB1 P15086 1/20 0.55
▸ CPB2 Q96IY4 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ ALOX15 P16050 1/20 0.55
▸ CTSL P07711 1/20 0.55

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
SCHEMBL1840311 1.00 SIRT2 (0.61) SIRT2SIRT1SIRT3ITGB3ITGA2B
SCHEMBL6477219 1.00 SIRT2 (0.61) SIRT2SIRT1SIRT3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL3952159 0.99 SIRT2 (0.60) SIRT2SIRT1SIRT3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL3952162 0.99 SIRT2 (0.60) SIRT2SIRT1SIRT3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6528872 0.99 SIRT2 (0.60) SIRT2SIRT1SIRT3ITGB3ITGA2B
SCHEMBL8447229 0.96 SIRT2 (0.59) SIRT2SIRT1SIRT3ITGB3ITGA2B
SCHEMBL8447232 0.96 SIRT2 (0.59) SIRT2SIRT1SIRT3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6236103 0.95 SIRT2 (0.58) SIRT2SIRT1SIRT3ITGB3ITGA2B
Hydrochloric Acid SCHEMBL6236109 0.95 SIRT2 (0.58) SIRT2SIRT1SIRT3ITGB3ITGA2B
SCHEMBL8386880 0.93 SIRT2 (0.67) SIRT2SIRT1SIRT3KYNUCA1

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-117460743-A Small molecule VE-PTP inhibitors 曼宁研究公司 2024-01-26 — — CN disclosed
EP-2769738-B1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-07-20 — — EP disclosed
US-9295732-B2 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists INVIVOGEN (FR) 2016-03-29 — — US disclosed
US-8957205-B2 Cycloalkane carboxamide derivatives and production process of same SEIKAGAKU CORPORATION (JP) 2015-02-17 — — US disclosed
US-8829209-B2 Cycloalkylcarbonylamino acid ester derivative and process for producing the same SEIKAGAKU CORPORATION (JP) 2014-09-09 — — US disclosed
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists CAYLA (FR) 2014-08-28 — — US disclosed
EP-2769738-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists Invivogen (FR) 2014-08-27 — — EP disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 — — US disclosed
US-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds INSTRACTION GMBH (DE) 2011-10-20 — — US disclosed
EP-2036920-B1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU KOGYO CO LTD (JP) 2011-05-18 — — EP disclosed
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same SEIKAGAKU CORPORATION (JP) 2009-05-28 — — US disclosed
EP-2036920-A1 CYCLOALKYLCARBONYLAMINO ACID ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME SEIKAGAKU CORPORATION (JP) 2009-03-18 — — EP disclosed
EP-1972615-A1 CYCLOALKANECARBOXAMIDE DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2008-09-24 — — EP disclosed
EP-0751952-B1 DISPLACEMENT CHROMATOGRAPHY OF PROTEINS USING LOW MOLECULAR WEIGHT DISPLACERS CRAMER STEVEN M (US) 2003-07-02 — — EP disclosed
EP-0751952-A4 DISPLACEMENT CHROMATOGRAPHY OF PROTEINS USING LOW MOLECULAR WEIGHT DISPLACERS CRAMER STEVEN M (US) 1997-12-17 — — EP disclosed
US-5606033-A PURIFYING PROTEIN BY LOADING ONTO ION EXCHANGE STATIONARY PHASE AND DISPLACING USING LOW MOLECULAR WEIGHT ANIONIC DISPLACER CRAMER STEVEN M (US) 1997-02-25 — — US disclosed
EP-0751952-A1 DISPLACEMENT CHROMATOGRAPHY OF PROTEINS USING LOW MOLECULAR WEIGHT DISPLACERS Cramer, Steven M. (US) 1997-01-08 — — EP disclosed
US-5478924-A Purification by ion exchanging with cationic exchanger CRAMER STEVEN M (US) 1995-12-26 — — US disclosed
WO-1995022555-A1 DISPLACEMENT CHROMATOGRAPHY OF PROTEINS USING LOW MOLECULAR WEIGHT DISPLACERS CRAMER STEVEN M (US) 1995-08-24 — — WO disclosed
EP-0050800-A1 Carboxyalkyl dipeptides, processes for their production and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1982-05-05 — — 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 (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-20110257028-A1 Method for selectively binding a substrate to sorbents by way of at least bivalent bonds SPR, ABCG2, SHBG SIRT2 1820/4885SIRT1 1776/4885SIRT3 1369/4885
US-20140242108-A1 Conjugated TLR7 and/or TLR8 and TLR2 polycationic agonists TLR7, TLR8, TLR9 SIRT2 400/4885SIRT1 365/4885SIRT3 699/4885
US-20090137799-A1 Cycloalkylcarbonylamino Acid Ester Derivative and Process for Producing The Same CTSK, CTSS, CTSE SIRT2 3172/4885SIRT1 3106/4885SIRT3 2154/4885

“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.

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