SCHEMBL882933

SCHEMBL882933

C=C[C@@H]1C[C@@H]1C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.38
CA2 P00918 6/20 0.38
CA12 O43570 5/20 0.38
CA9 Q16790 5/20 0.38
LMNA P02545 1/20 0.36
PPM1B O75688 1/20 0.36
PTPN1 P18031 1/20 0.36
PPP1CC P36873 1/20 0.36
ALDH1A1 P00352 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
CAPN9 O14815 1/20 0.35

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
SCHEMBL1128162 1.00 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL30158792 1.00 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL26347047 0.89 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL11367332 0.87 PPM1B (0.38) PPM1BPTPN1PPP1CCALDH1A1NPSR1
SCHEMBL8274706 0.84 TSHR (0.40) ALDH1A1MAPT
SCHEMBL400097 0.84 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL208304 0.84 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL13242445 0.84 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL17451842 0.84 CA1 (0.38) CA1CA2CA12CA9LMNA
SCHEMBL29132902 0.84 CA1 (0.38) CA1CA2CA12CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3778898-A1 NOVEL HYDROLASE AND METHOD FOR PRODUCING (1S,2S)-1-ALKOXYCARBONYL-2-VINYLCYCLOPROPANE CARBOXYLIC ACID USING SAME API Corporation (JP) 2021-02-17 EP disclosed
US-9493506-B2 Macrocyclic hepatitis C serine protease inhibitors ABBVIE INC. (US) 2016-11-15 US disclosed
EP-2813500-B1 Intermediates for the preparation of hepatitis C virus inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-08-17 EP disclosed
EP-2225249-B1 PROCESS FOR THE PREPARATION OF A MACROCYCLE HOFFMANN LA ROCHE (CH) 2016-08-03 EP disclosed
US-9321809-B2 Macrocyclic compounds for suppressing replication of hepatitis C virus GINKGO PHARAMA CO., LTD. (CN) 2016-04-26 US disclosed
EP-2089385-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2016-01-06 EP disclosed
US-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS GINKGO PHARMA CO., LTD. (CN) 2015-01-29 US disclosed
EP-2813500-A1 Intermediates for the preparation of hepatitis C virus inhibitors Bristol-Myers Squibb Company (US) 2014-12-17 EP disclosed
EP-1684745-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-12-17 EP disclosed
EP-2086994-B1 INHIBITORS OF HEPATITIS C VIRUS BRISTOL MYERS SQUIBB CO (US) 2014-11-26 EP disclosed
WO-2008064057-A1 MACROCYCLIC PEPTIDES AS HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-29 WO disclosed
WO-2008019289-A2 TETRAZOLYL MACROCYCLIC HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. (US) 2008-02-14 WO disclosed
WO-2007056120-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-18 WO disclosed
WO-2007044933-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-19 WO disclosed
WO-2007014926-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007014922-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS TIBOTEC PHARMACEUTICALS LTD. (IE) 2007-02-08 WO disclosed
WO-2007008657-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-01-18 WO disclosed
WO-2006020276-A2 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2006-02-23 WO disclosed
WO-2005073195-A2 HCV NS-3 SERINE PROTEASE INHIBITORS MEDIVIR AB (SE) 2005-08-11 WO disclosed
WO-2005037214-A2 MACROCYCLIC CARBOXYLIC ACIDS AND ACYLSULFONAMIDES AS INHIBITORS OF HCV REPLICATION INTERMUNE, INC. (US) 2005-04-28 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-20150031603-A1 MACROCYCLIC COMPOUNDS FOR SUPPRESSING REPLICATION OF HEPATITIS C VIRUS HCCS, HAVCR2, EIF2AK2 CA1 4728/4885CA2 4789/4885CA12 4463/4885

“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.