Sugi Predict

Sugi Predict / Compounds / SCHEMBL3864583

SCHEMBL3864583

SCHEMBL3864583

CCCCCSC(=O)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 7/20 0.42
▸ GMNN O75496 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ THRB P10828 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ BLM P54132 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CES1 P23141 9/20 0.41
▸ FAAH O00519 5/20 0.41
▸ PLA2G6 O60733 1/20 0.41
▸ ACHE P22303 3/20 0.41
▸ EPHX1 P07099 1/20 0.38
▸ ASAH1 Q13510 1/20 0.37
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37
▸ AKR1B1 P15121 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL22951375 0.98 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL22951373 0.98 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL3869805 0.98 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL22951385 0.98 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL31026388 0.98 CES2 (0.45) CES2GMNNTP53POLBMAPT
SCHEMBL3866692 0.93 NOS3 (0.43) CES2GMNNTP53POLBMAPT
SCHEMBL3864690 0.83 TDP1 (0.50) CES1NOS3NOS1NOS2ALDH1A1
SCHEMBL9949444 0.83 FAAH (0.56) CES2HSD17B10CES1FAAHPLA2G6
SCHEMBL12198870 0.82 SMN1; SMN2 (0.39) GPR84
SCHEMBL22956016 0.81 CES2 (0.42) CES2GMNNTP53POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2015-08-27 — — US disclosed
WO-2014031575-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-02-27 — — WO disclosed
WO-2009136965-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. (US) 2009-11-12 — — WO disclosed
US-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES SEQUELLA, INC. 2009-11-12 — — US disclosed
US-20090149444-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-06-11 — — US disclosed
US-7514475-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-04-07 — — US disclosed
US-7504437-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 — — US disclosed
US-7504393-B2 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2009-03-17 — — US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 — — US disclosed
EP-1206937-B1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR THE TREATMENT OF ATOPIC DERMATITIS SHOEI CO LTD (JP) 2008-01-23 — — EP disclosed
US-6844173-B2 Strain of Streptomyces griseus SANKYO COMPANY, LIMITED (JP) 2005-01-18 — — US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 — — US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 — — EP disclosed
EP-1319666-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 — — EP disclosed
EP-1319406-A1 Novel antibacterial compounds Sankyo Company, Limited (JP) 2003-06-18 — — EP disclosed
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole SHOEI CO., LTD. (JP) 2003-05-15 — — US disclosed
US-20030069204-A1 Strain of streptomyces SANKYO COMPANY LIMITED (JP) 2003-04-10 — — US disclosed
US-6472384-B1 Antimicrobial compounds SANKYO COMPANY, LIMITED (JP) 2002-10-29 — — US disclosed
EP-1206937-A1 NITROIMIDAZOLE EXTERNAL PREPARATIONS FOR DERMATOSIS SHOEI CO., LTD. (JP) 2002-05-22 — — EP disclosed
EP-1095947-A1 NOVEL ANTIBACTERIAL COMPOUNDS Sankyo Company Limited (JP) 2001-05-02 — — EP 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 (7 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-20090281054-A1 COMPOSITIONS AND METHODS COMPRISING CAPURAMYCIN ANALOGUES TTPA, PHOSPHO1, CAPG CES2 1009/4885GMNN 679/4885TP53 1049/4885
US-20030069204-A1 Strain of streptomyces O60361, CYP8B1, MRPS34 CES2 1507/4885GMNN 4241/4885TP53 4474/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 CES2 73/4885GMNN 4743/4885TP53 4830/4885
US-20030092754-A1 External preparation for skin diseases containing nitroimidazole IL4I1, NSD1, CUTA CES2 2960/4885GMNN 3940/4885TP53 3300/4885
US-20150238516-A1 POLYNUCLEOTIDES HAVING BIOREVERSIBLE GROUPS RNASE1, NCL, LNPEP CES2 1001/4885GMNN 638/4885TP53 530/4885
US-20090149444-A1 Benzylamine analogues HTR4, DRD4, SLC6A4 CES2 262/4885GMNN 4659/4885TP53 4603/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 CES2 1842/4885GMNN 4103/4885TP53 3649/4885

“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.