SCHEMBL8294116

SCHEMBL8294116

CCN1CCCCS1(=O)=O

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CRY1 Q16526 13/20 0.37
CRY2 Q49AN0 13/20 0.37
PER2 O15055 12/20 0.37
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA6 P23280 1/20 0.30
OPRK1 P41145 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL18591649 0.98 CRY1 (0.36) CRY1CRY2PER2TP53
SCHEMBL2754732 0.93
SCHEMBL18591636 0.82
SCHEMBL18591638 0.82 CRY1 (0.36) CRY1CRY2PER2TP53
SCHEMBL18591647 0.80 PER2 (0.35) CRY1CRY2PER2TP53
SCHEMBL1911460 0.77 L3MBTL1 (0.36) CRY1CRY2PER2TP53
SCHEMBL8282881 0.76 CRY1 (0.44) CRY1CRY2PER2TP53
SCHEMBL23921620 0.76 ALOX5 (0.37) CRY1CRY2PER2
SCHEMBL12251949 0.74 PER2 (0.34) CRY1CRY2PER2
SCHEMBL20124767 0.74

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
WO-2022221704-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF TREATING CANCER HOTSPOT THERAPEUTICS, INC. (US) 2022-10-20 WO disclosed
WO-2022140428-A2 INHIBITORS OF PEPTIDYLARGININE DEIMINASES GILEAD SCIENCES, INC. (US) 2022-06-30 WO disclosed
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS REPARE THERAPEUTICS INC. (CA) 2022-06-16 US disclosed
WO-2020132648-A1 KIF18A INHIBITORS AMGEN INC. (US) 2020-06-25 WO disclosed
EP-3139436-B1 ELECTROLYTE AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO LTD (KR) 2019-06-19 EP disclosed
WO-2017049068-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-03-23 WO disclosed
US-20170069935-A1 ELECTROLYTE AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2017-03-09 US disclosed
US-20170069935-A1 ELECTROLYTE AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE SAMSUNG SDI CO., LTD. (KR) 2017-03-09 US disclosed
EP-3139436-A1 ELECTROLYTE AND LITHIUM BATTERY INCLUDING THE ELECTROLYTE Samsung SDI Co., Ltd. (KR) 2017-03-08 EP disclosed
US-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2013-03-07 US disclosed
US-7511063-B2 High affinity quinoline-based kinase ligands SCHERING CORPORATION (US) 2009-03-31 US disclosed
US-20080287394-A1 Hiv Integrase Inhibitors MERCK & CO., INC. (US) 2008-11-20 US disclosed
US-7449447-B2 Peptidomimetic NS3-serine protease inhibitors of hepatitis C virus SCHERING CORPORATION (US) 2008-11-11 US disclosed
US-7435735-B2 Hydroxy pyridopyrrolopyrazine dione compounds useful as HIV integrase inhibitors MERCK & CO., INC. (US) 2008-10-14 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-7358249-B2 Heterocyclic compounds having inhibitory activity against HIV integrase SHIONOGI & CO., LTD. (JP) 2008-04-15 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY 2007-09-13 US disclosed
US-7173057-B2 Ketoamides with cyclic P4'S as inhibitors of NS3 protease of hepatitis C virus SCHERING CORPORATION (US) 2007-02-06 US disclosed
WO-2005021584-A2 NOVEL PEPTIDOMIMETIC NS3-SERINE PROTEASE INHIBITORS OF HEPATITIS C VIRUS SCHERING CORPORATION (US) 2005-03-10 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 (5 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-20130059840-A1 SULFONAMIDO PYRROLIDINE COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF BACE1, BACE2, GSAP CRY1 4250/4885CRY2 4177/4885PER2 2500/4885
US-20070213356-A1 Nitrogen-Containing Heterocyclyl Substituted Imidazoquinolines and Imidazonaphthyridines IL2, IFNG, IRF3 CRY1 2569/4885CRY2 3113/4885PER2 2905/4885
US-20220185809-A1 SUBSTITUTED 2-MORPHOLINOPYRIDINE DERIVATIVES AS ATR KINASE INHIBITORS ATR, CHEK2, CHEK1 CRY1 4152/4885CRY2 3957/4885PER2 3695/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 CRY1 2352/4885CRY2 1268/4885PER2 690/4885
US-20080287394-A1 Hiv Integrase Inhibitors DHPS, DPYD, TYMP CRY1 4450/4885CRY2 4824/4885PER2 3857/4885

“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.