SCHEMBL3135361

SCHEMBL3135361

Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]43)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ST6GAL1 P15907 1/20 0.63
CDC25A P30304 4/20 0.62
POLA1 P09884 1/20 0.62
CYP2D6 P10635 1/20 0.58
CYP2C19 P33261 1/20 0.58
VDR P11473 2/20 0.57
ABCC4 O15439 1/20 0.57
INPP5D Q92835 1/20 0.57
HPSE Q9Y251 9/20 0.57
FGF1 P05230 7/20 0.57
FGF2 P09038 6/20 0.55

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
SCHEMBL11109512 1.00 ST6GAL1 (0.63) ST6GAL1CDC25APOLA1CYP2D6CYP2C19
SCHEMBL3135366 1.00 ST6GAL1 (0.63) ST6GAL1CDC25APOLA1CYP2D6CYP2C19
SCHEMBL23628425 1.00 ST6GAL1 (0.63) ST6GAL1CDC25APOLA1CYP2D6CYP2C19
SCHEMBL875405 0.91 CDC25A (0.62) ST6GAL1CDC25APOLA1CYP2D6CYP2C19
SCHEMBL11458228 0.90 CYP2D6 (0.53) ST6GAL1CDC25APOLA1CYP2D6CYP2C19
SCHEMBL19253281 0.89 GRIN1 (0.64) ST6GAL1VDRABCC4
SCHEMBL19253282 0.89 GRIN1 (0.64) ST6GAL1VDRABCC4
SCHEMBL23865994 0.89 ST6GAL1 (0.59) ST6GAL1VDRABCC4
SCHEMBL8902307 0.86 ST6GAL1 (0.82) ST6GAL1CDC25APOLA1CYP2D6CYP2C19
SCHEMBL8902302 0.86 ST6GAL1 (0.82) ST6GAL1CDC25APOLA1CYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2625190-B1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC, ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION UNIV JUSTUS LIEBIG GIESSEN (DE) 2021-07-14 EP disclosed
US-9382288-B2 Derivatives of steroid benzylamines, having an antiparasitic antibacterial, antimycotic and/or antiviral action JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2016-07-05 US disclosed
US-9180132-B2 Antimicrobial cationic steroids and methods of use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-11-10 US disclosed
US-9056048-B2 Synthesis and use of cationic steroids for anti-inflammatory drug therapy THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2015-06-16 US disclosed
US-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION JUSTUS-LIEBIG-UNIVERSITAT GIESSEN (DE) 2013-10-10 US disclosed
US-20130137668-A1 Antimicrobial Cationic Steroids and Methods of Use THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2013-05-30 US disclosed
WO-2010062562-A1 SYNTHESIS AND USE OF CATIONIC STEROIDS FOR ANTI-INFLAMMATORY DRUG THERAPY THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2010-06-03 WO disclosed
US-20090124591-A1 Synthesis and Use of Cationic Steroids for Anti-Inflammatory Drug Therapy THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2009-05-14 US disclosed
US-7442386-B2 Synthesis and use of reagents for improved DNA lipofection and/or slow release prodrug and drug therapies THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2008-10-28 US disclosed
EP-1424998-A4 SYNTHESIS AND USE OF REAGENTS FOR IMPROVED DNA LIPOFECTION AND/OR SLOW RELEASE PRODRUG AND DRUG THERAPIES UNIV PENNSYLVANIA (US) 2005-11-23 EP disclosed
US-20050069577-A1 Synthesis and use of reagents for improved DNA lipofection and/or slow release prodrug and drug therapies TRUSTEES OF UNIVERSITY OF PENNSYLVANIA 2005-03-31 US disclosed
EP-1424998-A1 SYNTHESIS AND USE OF REAGENTS FOR IMPROVED DNA LIPOFECTION AND/OR SLOW RELEASE PRODRUG AND DRUG THERAPIES The Trustees of The University of Pennsylvania (US) 2004-06-09 EP disclosed
WO-2003015757-A1 SYNTHESIS AND USE OF REAGENTS FOR IMPROVED DNA LIPOFECTION AND/OR SLOW RELEASE PRODRUG AND DRUG THERAPIES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2003-02-27 WO disclosed
WO-1995002424-A1 LOCALIZATION AND THERAPY OF NON-PROSTATIC ENDOCRINE CANCER WITH AGENTS DIRECTED AGAINST PROSTATE SPECIFIC ANTIGEN NORDION INTERNATIONAL INC. (CA) 1995-01-26 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-20130266645-A1 DERIVATIVES OF STEROID BENZYLAMINES, HAVING AN ANTIPARASITIC ANTIBACTERIAL, ANTIMYCOTIC AND/OR ANTIVIRAL ACTION HSD17B7, CYP21A2, CYP17A1 ST6GAL1 739/4885CDC25A 1196/4885POLA1 448/4885

“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.