SCHEMBL471109

SCHEMBL471109

CC(C)(C)OC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)[C@H]1CO1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 1/20 0.53
PTPN1 P18031 2/20 0.52
YAP1 P46937 3/20 0.50
KLK7 P49862 4/20 0.48
KLK5 Q9Y337 3/20 0.48
HDAC8 Q9BY41 1/20 0.46
REN P00797 1/20 0.46
PPARA Q07869 1/20 0.46
ATM Q13315 1/20 0.46
ITGB3 P05106 1/20 0.45
ITGA2B P08514 1/20 0.45
PPARG P37231 1/20 0.45
LTA4H P09960 1/20 0.45
ACE P12821 1/20 0.45

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
SCHEMBL6158180 1.00 BCL2 (0.53) BCL2PTPN1YAP1KLK7KLK5
SCHEMBL13537887 1.00 BCL2 (0.53) BCL2PTPN1YAP1KLK7KLK5
SCHEMBL3291046 1.00 BCL2 (0.53) BCL2PTPN1YAP1KLK7KLK5
SCHEMBL8230963 1.00 BCL2 (0.53) BCL2PTPN1YAP1KLK7KLK5
SCHEMBL13617902 1.00 BCL2 (0.53) BCL2PTPN1YAP1KLK7KLK5
SCHEMBL5865405 0.90 ATM (0.54) KLK7KLK5PPARAATMPPARG
SCHEMBL496136 0.90 ATM (0.54) KLK7KLK5PPARAATMPPARG
SCHEMBL7438571 0.90 ATM (0.54) KLK7KLK5PPARAATMPPARG
SCHEMBL639229 0.90 ATM (0.54) KLK7KLK5PPARAATMPPARG
SCHEMBL2079109 0.90 ATM (0.54) KLK7KLK5PPARAATMPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212203-A1 Antiviral Compounds UNIVERSITY OF MASSACHUSETTS 2023-07-06 US disclosed
US-11542288-B2 Antiviral compounds UNIVERSITY OF MASSACHUSETTS (US) 2023-01-03 US disclosed
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR SHIONOGI & CO., LTD. (JP) 2017-09-07 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
US-8455497-B2 Inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-04 US disclosed
EP-1686113-B1 Inhibitors of aspartyl protease VERTEX PHARMA (US) 2011-11-23 EP disclosed
US-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES CONCERT PHARMACEUTICALS, INC. (US) 2010-12-02 US disclosed
US-7649015-B2 Cellular accumulation of phosphonate analogs of HIV protease inhibitor compounds GILEAD SCIENCES, INC. (US) 2010-01-19 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE VERTEX PHARMACEUTICALS INCORPORATED 2009-11-05 US disclosed
US-20070190523-A1 Method and compositions for identifying anti-hiv therapeutic compounds GILEAD SCIENCES, INC. 2007-08-16 US disclosed
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds GILEAD SCIENCES, INC. 2007-01-11 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-20100305173-A1 HYDROXYETHYLAMINO SULFONAMIDE DERIVATIVES STS, PRSS1, PRSS3 BCL2 2537/4885PTPN1 2171/4885YAP1 4442/4885
US-20170253607-A1 LONG-ACTING HIV PROTEASE INHIBITOR CPN1, HAT1, PRSS1 BCL2 3996/4885PTPN1 257/4885YAP1 2264/4885
US-11542288-B2 Antiviral compounds ZC3HAV1, EIF2AK2, MAVS BCL2 2925/4885PTPN1 4154/4885YAP1 4861/4885
US-20230212203-A1 Antiviral Compounds ZC3HAV1, EIF2AK2, MAVS BCL2 2925/4885PTPN1 4154/4885YAP1 4861/4885
US-20070010489-A1 Cellular accumulation of phosphonate analogs of hiv protease inhibitor compounds PPA1, PNP, PPME1 BCL2 4070/4885PTPN1 3330/4885YAP1 4420/4885
US-20090274650-A1 INHIBITORS OF ASPARTYL PROTEASE SPINT2, DNPEP, PRSS1 BCL2 1781/4885PTPN1 1557/4885YAP1 4559/4885

“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.