SCHEMBL444334

SCHEMBL444334

CCOC(=O)CN1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC(=O)OCC)C5=O

nearest known ligand 0.88

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 1/20 0.88
PIN4 Q9Y237 1/20 0.88
GSK3A P49840 1/20 0.53
GSK3B P49841 1/20 0.53
ALDH1A1 P00352 4/20 0.52
TERT O14746 3/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
HSD17B10 Q99714 1/20 0.51
LMNA P02545 1/20 0.48
ELANE P08246 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
STAT3 P40763 1/20 0.46
HIF1A Q16665 1/20 0.46
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL442751 0.94 PIN1 (1.00) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL18348920 0.87 PIN1 (0.85) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL22140316 0.81 PIN1 (0.74) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL11453331 0.81 ALDH1A1 (0.77) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL11395567 0.81 PIN1 (0.75) PIN1PIN4ALDH1A1MAPTHTT
SCHEMBL10819259 0.80 PIN1 (0.68) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL521934 0.78 PIN1 (0.70) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL13148744 0.77 KDM4E (0.62) PIN1PIN4ALDH1A1TERTMAPT
SCHEMBL522944 0.77 PIN1 (0.68) PIN1PIN4GSK3AGSK3BALDH1A1
SCHEMBL523511 0.77 PIN1 (0.68) PIN1PIN4GSK3AGSK3BALDH1A1

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-20220218632-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF PROVINCIAL HEALTH SERVICES AUTHORITY (CA) 2022-07-14 US disclosed
US-20180072814-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2018-03-15 US disclosed
US-9796784-B2 Methods and compositions for the generation and use of conformation-specific antibodies BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2017-10-24 US disclosed
US-20160175292-A1 Antioxidants Having Aromatic Structures Reacting with Superoxide TOUR JAMES (US) 2016-06-23 US disclosed
US-20150038683-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. 2015-02-05 US disclosed
US-20140242100-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-08-28 US disclosed
US-8802439-B2 Methods for enhancing infectivity of retroviruses NATIONAL INSTITUTES OF HEALTH 2014-08-12 US disclosed
US-8771693-B2 Methods and compositions for the generation and use of conformation-specific antibodies BETH ISRAEL DEACONESS MEDICAL CENTER, INC. (US) 2014-07-08 US disclosed
EP-2733213-A1 Kit for producing a retrovirus with enhanced infectivity Saphire, Andrew C. (US) 2014-05-21 EP disclosed
EP-2432885-B1 METHODS FOR ENHANCING INFECTIVITY OF RETROVIRUSES SAPHIRE ANDREW C (US) 2014-01-22 EP disclosed
US-20130028900-A1 METHODS AND COMPOSITIONS FOR THE GENERATION AND USE OF CONFORMATION-SPECIFIC ANTIBODIES BETH ISRAEL DEACONESS MEDICAL CENTER INC. (US) 2013-01-31 US disclosed
US-20120064604-A1 METHODS FOR ENHANCING INFECTIVITY OF RETROVIRUSES NATIONAL INSTITUTES OF HEALTH 2012-03-15 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 (2 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-20220218632-A1 PHARMACEUTICAL COMPOSITIONS AND COMBINATIONS COMPRISING INHIBITORS OF THE ANDROGEN RECEPTOR AND USES THEREOF AR, CDK4, PIN1 PIN1 3/4885PIN4 531/4885GSK3A 100/4885
US-20160175292-A1 Antioxidants Having Aromatic Structures Reacting with Superoxide GPX4, TXN2, MPO PIN1 3501/4885PIN4 1849/4885GSK3A 3257/4885

“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.