SCHEMBL1031219

SCHEMBL1031219

CC12CCC(CC1)C2(C)C

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTDSP1 Q9GZU7 3/20 0.50
APOBEC3A P31941 2/20 0.50
APOBEC3G Q9HC16 2/20 0.50
SIGMAR1 Q99720 11/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL17627829 1.00 CTDSP1 (0.50) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
SCHEMBL8427 1.00 CTDSP1 (0.50) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
Hydrogen Peroxide SCHEMBL9196247 0.94 CTDSP1 (0.46) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
SCHEMBL23967319 0.89 CTDSP1 (0.43) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
Bicarbonate SCHEMBL9573734 0.87 CTDSP1 (0.42) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
Phosphoric Acid SCHEMBL691369 0.84 CTDSP1 (0.41) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
SCHEMBL1024401 0.81
Pentachlorophenol SCHEMBL6362182 0.78 LMNA (0.40) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
Methyl Alcohol SCHEMBL1155257 0.77 CTDSP1 (0.43) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA
SCHEMBL11810368 0.77 CTDSP1 (0.39) CTDSP1APOBEC3AAPOBEC3GSIGMAR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2022-05-12 US claimed
EP-3932922-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF ShanghaiTech University (CN) 2022-01-05 EP claimed
EP-1235595-B8 INTEGRIN-MEDIATED DRUG TARGETING BAYER SCHERING PHARMA AG (DE) 2009-10-07 EP claimed
EP-1235595-B1 INTEGRIN-MEDIATED DRUG TARGETING ALBERS MARKUS (DE) 2009-08-05 EP claimed
US-7488818-B2 Method for producing 1,4-diphenyl azetidinone derivatives SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2009-02-10 US claimed
US-7371862-B2 Azaindolylidene derivatives as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2008-05-13 US claimed
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands BAYER AKTIENGESELLSCHAFT (DE) 2008-05-08 US claimed
US-7304037-B2 Cytostatic conjugates with integrin ligands BAYER AKIENGESELLSCHAFT (DE) 2007-12-04 US claimed
EP-1756049-B1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI AVENTIS DEUTSCHLAND (DE) 2007-10-31 EP claimed
US-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-06-28 US claimed
EP-1238678-A1 Enzyme-activated cytostatic conjugates with integrin ligands Bayer Aktiengesellschaft (DE) 2002-09-11 EP claimed
EP-1235595-A2 INTEGRIN-MEDIATED DRUG TARGETING Bayer Aktiengesellschaft (DE) 2002-09-04 EP claimed
US-6423716-B1 Nitrogenous heterocyclic compounds KYOWA HAKKO KOGYO CO., LTD. (JP) 2002-07-23 US claimed
WO-2002051444-A1 CONJUGATES OF INTEGRIN RECEPTOR ANTAGONISTS AND A CYTOSTATIC AGENT HAVING SPECIFICALLY CLEAVABLE LINKING UNITS BAYER AKTIENGESELLSCHAFT (DE) 2002-07-04 WO claimed
EP-1219305-A1 Conjugates of integrin receptor antagonists and a cytostatic agent having specifically cleavable linking units Bayer Aktiengesellschaft (DE) 2002-07-03 EP claimed
EP-1147079-A2 BETA-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS Bayer Aktiengesellschaft (DE) 2001-10-24 EP claimed
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists SCHOOP ANDREAS (DE) 2001-10-18 US claimed
US-6291503-B1 β-phenylalanine derivatives as integrin antagonists BAYER AKTIENGESELLSCHAFT (DE) 2001-09-18 US claimed
WO-2001017563-A2 INTEGRIN-MEDIATED DRUG TARGETING BAYER AKTIENGESELLSCHAFT (DE) 2001-03-15 WO claimed
WO-2000041469-A2 β-PHENYLALANINE DERIVATIVES AS INTEGRIN ANTAGONISTS BAYER AKTIENGESELLSCHAFT (DE) 2000-07-20 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20070149776-A1 METHOD FOR PRODUCING 1,4-DIPHENYL AZETIDINONE DERIVATIVES CYP46A1, CYP51A1, APOB CTDSP1 4785/4885APOBEC3A 4126/4885APOBEC3G 3971/4885
US-20080108576-A1 Novel cytostatic conjugates with integrin ligands ITGB3, ITGAV, ITGB5 CTDSP1 1560/4885APOBEC3A 2113/4885APOBEC3G 1827/4885
US-20010031788-A1 Beta-phenylalanine derivatives as integrin antagonists ITGB4, ITGA4, ITGB2 CTDSP1 3095/4885APOBEC3A 4811/4885APOBEC3G 4825/4885
US-20220143002-A1 SULFUR-CONTAINING COMPOUND BASED ON GLUTARIMIDE SKELETON AND APPLICATION THEREOF GLS, SQOR, GCDH CTDSP1 3246/4885APOBEC3A 4673/4885APOBEC3G 4782/4885

“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.