SCHEMBL5542628

SCHEMBL5542628

CC(OC(=O)OC1CCCCC1)OC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 3/20 0.42
▸ HTT P42858 2/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ EPHX1 P07099 2/20 0.37
▸ NAAA Q02083 2/20 0.34
▸ SYK P43405 1/20 0.33
▸ CYP2C19 P33261 2/20 0.32
▸ TSHR P16473 2/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ ALOX15 P16050 2/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CA12 O43570 1/20 0.31
▸ CA1 P00915 1/20 0.31
▸ CA2 P00918 1/20 0.31
▸ CA9 Q16790 1/20 0.31
▸ PRKCA P17252 1/20 0.30
▸ KDM4E B2RXH2 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
SCHEMBL5512762 0.88 CYP19A1 (0.40) CYP19A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL24023300 0.85 EPHX1 (0.40) CYP19A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL9963862 0.82 SMN1; SMN2 (0.38) CYP19A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL5986431 0.81 EPHX1 (0.40) CYP19A1HTTSMN1; SMN2EPHX1NAAA
SCHEMBL7606345 0.81 EPHX1 (0.40) CYP19A1HTTSMN1; SMN2EPHX1NAAA
SCHEMBL5987477 0.81 EPHX1 (0.40) CYP19A1HTTSMN1; SMN2EPHX1NAAA
SCHEMBL13647263 0.80 CYP19A1 (0.41) CYP19A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL7371636 0.80 EPHX1 (0.39) CYP19A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL7371640 0.80 EPHX1 (0.39) CYP19A1HTTSMN1; SMN2EPHX1NAAA
SCHEMBL13130088 0.80 EPHX1 (0.41) CYP19A1HTTSMN1; SMN2EPHX1NAAA

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10987354-B2 Inhibitors of influenza virus replication and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2021-04-27 — — US disclosed
US-20200085822-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2020-03-19 — — US disclosed
US-9428483-B2 Prodrug of fluorine-containing amino acid TAISHO PHARMACEUTICAL CO., LTD. (JP) 2016-08-30 — — US disclosed
US-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-05-21 — — US disclosed
EP-1806342-B1 3-CARBAMOYL-2-PYRIDONE DERIVATIVE SHIONOGI & CO (JP) 2013-04-17 — — EP disclosed
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-02-14 — — US disclosed
US-8178681-B2 methyl 3-methyl-2-{[2-oxo-1-(2-oxo-ethyl)-1,2,5,6,7,8,9,10-octahydro-cycloocta[b]pyridine-3-carbonyl]-amino}-butyrate; cannabinoid receptor agonist; antiinflammatory agent, immunostimulant, analgesic; atopic dermatitis; excellent in photostability, and have excellent transdermal and oral absorbency SHIONOGI & CO., LTD. (JP) 2012-05-15 — — US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 — — US disclosed
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders MILLENNIUM PHARMACEUTICALS INC. (US) 2009-11-19 — — US disclosed
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative SHIONOGI & CO. LTD. (JP) 2008-05-01 — — 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 (6 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-10987354-B2 Inhibitors of influenza virus replication and uses thereof ZC3HAV1, MAVS, POLRMT CYP19A1 4028/4885HTT 3067/4885SMN1; SMN2 4688/4885
US-20090286823-A1 CCR1 Inhibitors useful for the treatment of multiple myeloma and other disorders CCR1, CCR3, CCR4 CYP19A1 4118/4885HTT 4302/4885SMN1; SMN2 915/4885
US-20080103139-A1 3-Carbamoyl-2-Pyridone Derivative CNR1, CNR2, HRH4 CYP19A1 1773/4885HTT 4351/4885SMN1; SMN2 4482/4885
US-20150141669-A1 PRODRUG OF FLUORINE-CONTAINING AMINO ACID SLC1A2, SLC1A1, SLC1A3 CYP19A1 1910/4885HTT 363/4885SMN1; SMN2 207/4885
US-20130040979-A1 CCR1 INHIBITORS USEFUL FOR THE TREAMENT OF MULTIPLE MYELOMA AND OTHER DISORDERS CCR1, CCR3, CCR4 CYP19A1 4394/4885HTT 4240/4885SMN1; SMN2 952/4885
US-20200085822-A1 INHIBITORS OF INFLUENZA VIRUS REPLICATION AND USES THEREOF ZC3HAV1, MAVS, POLRMT CYP19A1 4028/4885HTT 3067/4885SMN1; SMN2 4688/4885

“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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