SCHEMBL4019998

SCHEMBL4019998

S=C(S)NCCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.70
RAB9A P51151 4/20 0.70
SMN1; SMN2 Q16637 2/20 0.70
CA12 O43570 2/20 0.63
CA2 P00918 2/20 0.63
CA9 Q16790 2/20 0.63
CA1 P00915 1/20 0.63
LMNA P02545 3/20 0.61
GAA P10253 2/20 0.61
TAAR1 Q96RJ0 2/20 0.61
IDO1 P14902 1/20 0.59
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
MEN1 O00255 3/20 0.54
MAPT P10636 3/20 0.54
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 3/20 0.54
ALOX12 P18054 2/20 0.54
HTT P42858 2/20 0.54

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
SCHEMBL28883052 0.98 NPC1 (0.68) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL159163 0.83 NPC1 (0.76) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL6524477 0.83 RAB9A (1.00) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL28581076 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL5889607 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL525787 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL1860288 0.79 NPC1 (0.70) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL159162 0.79 CA12 (0.63) NPC1RAB9ASMN1; SMN2CA12CA2
SCHEMBL1056090 0.78 ALOX12 (0.68) SMN1; SMN2CA12CA2CA9CA1
SCHEMBL9176170 0.78 NPC1 (0.68) NPC1RAB9ASMN1; SMN2CA12CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110683975-B Synthesis method of dialkyl amino alkyl dithioformate 成都理工大学 2021-04-09 CN claimed
EP-1940787-A4 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INST MEDICAL RES (US) 2009-07-01 EP claimed
EP-1940787-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF Lankenau Institute for Medical Research (US) 2008-07-09 EP claimed
WO-2007050963-A1 NOVEL IDO INHIBITORS AND METHODS OF USE THEREOF LANKENAU INSTITUTE FOR MEDICAL RESEARCH (US) 2007-05-03 WO claimed
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS NYSNOBIO IRELAND DAC (IE) 2020-03-19 US disclosed
US-10155936-B2 Parkin ligase activation methods and compositions An2H Discovery Limited (IE) 2018-12-18 US disclosed
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS An2H Discovery Limited (IE) 2016-06-09 US disclosed
CN-1211210-A Process for producing dip-coated articles BASF AG (DE) 1999-03-17 CN disclosed
EP-0427624-B1 Thermoplastic elastomer based on polynorbornene and polyvinyl chloride ATOCHEM ELF SA (FR) 1996-01-17 EP disclosed
EP-0431996-B1 Elastic memory thermoplastic compositions and process for their preparation ATOCHEM ELF SA (FR) 1995-07-05 EP disclosed
EP-0394113-B1 Thermoplastic elastomer based on an ethylene/acrylate copolymer and on polynorbornene ATOCHEM ELF SA (FR) 1994-06-29 EP disclosed
EP-0384822-B1 THERMOPLASTIC ELASTOMER MADE OF ETHYLENE/ALPHA-OLEFIN COPOLYMER AND POLYNORBORNENE ELF ATOCHEM S.A. (FR) 1993-09-29 EP disclosed
EP-0431996-A1 Elastic memory thermoplastic compositions and process for their preparation ELF ATOCHEM S.A. (FR) 1991-06-12 EP disclosed
WO-1991007464-A1 THERMOPLASTIC ELASTOMER BASED ON POLYNORBORNENE AND VINYL POLYCHLORIDE ATOCHEM (FR) 1991-05-30 WO disclosed
WO-1991007460-A1 FILM MEMORY THERMOPLASTIC COMPOSITIONS AND METHOD FOR PREPARING SAME ATOCHEM (FR) 1991-05-30 WO disclosed
WO-1990010033-A1 THERMOPLASTIC ELASTOMER BASED ON ETHYLENE/α-OLEFIN COPOLYMER AND POLYNORBORNENE NORSOLOR (FR) 1990-09-07 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 (3 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-10155936-B2 Parkin ligase activation methods and compositions PINK1, XIAP, STUB1 NPC1 1493/4885RAB9A 1746/4885SMN1; SMN2 404/4885
US-20200087648-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 NPC1 1493/4885RAB9A 1746/4885SMN1; SMN2 404/4885
US-20160160205-A1 PARKIN LIGASE ACTIVATION METHODS AND COMPOSITIONS PINK1, XIAP, STUB1 NPC1 1493/4885RAB9A 1746/4885SMN1; SMN2 404/4885

“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.