SCHEMBL5299279

SCHEMBL5299279

CCN(CC)C(=S)Sc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
NPC1 O15118 1/20 0.56
RAB9A P51151 1/20 0.56
ALDH1A1 P00352 6/20 0.53
MGLL Q99685 5/20 0.53
PKM P14618 4/20 0.46
PHGDH O43175 2/20 0.46
HPGD P15428 2/20 0.46
NFKB1 P19838 2/20 0.46
PLIN1 O60240 1/20 0.46
GMNN O75496 1/20 0.46
TRPA1 O75762 1/20 0.46
ABCB11 O95342 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
ALDH2 P05091 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
HTR1A P08908 1/20 0.46

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
SCHEMBL27521010 0.98 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL29009228 0.89 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL27649469 0.83 PKM (0.55) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL31364230 0.82 ALDH1A1 (0.45) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL9872134 0.82 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL27961635 0.81 ALDH1A1 (0.42) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL27629377 0.80 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL27992329 0.79 ALDH1A1 (0.52) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL27992542 0.78 ALDH1A1 (0.50) SMN1; SMN2NPC1RAB9AALDH1A1MGLL
SCHEMBL27629390 0.78 MGLL (0.47) SMN1; SMN2NPC1RAB9AALDH1A1MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11575156-B2 Diselenoester electrolyte additives for fast charging lithium ion batteries StoreDot Ltd. (IL) 2023-02-07 US disclosed
US-20210242497-A1 DISELENOESTER ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210242500-A1 ELECTROLYTES FOR FAST CHARGING LITHIUM ION BATTERIES HAVING FOUR-CARBON CHAIN ESTERS AS LINEAR COMPONENTS StoreDot Ltd. (IL) 2021-08-05 US disclosed
US-20210234197-A1 ELECTROLYTE ADDITIVES FOR FAST CHARGING LITHIUM ION BATTERIES StoreDot Ltd. (IL) 2021-07-29 US disclosed
US-20190356013-A1 ELECTROLYTE ADDITIVES IN LITHIUM-ION BATTERIES StoreDot Ltd. (IL) 2019-11-21 US disclosed
EP-3235815-A1 AGENTS AGAINST PARASITIC HELMINTHS PHILIPPS-UNIVERSITÄT MARBURG (DE) 2017-10-25 EP disclosed
US-7855292-B2 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2010-12-21 US disclosed
US-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics JANSSEN PHARMACEUTICA NV (BE) 2008-06-05 US disclosed
WO-2007012630-A1 CONDUCTIVE OR SEMI-CONDUCTIVE MATERIAL MODIFIED BY ELECTROCHEMICAL GRAFTING OF POLYMER FILMS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2007-02-01 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-20080132511-A1 Cholecystokinin (CCK) receptor ligands; antagonists; 3-(5-Bromo-thiophen-2-yl)-2-[4-chloro-2-(quinoxaline-5-sulfonylamino)-benzoylamino]-propionic acid methy; pain, drug dependence, anxiety, panic attack, schizophrenia, pancreatic disorders, secretory disorders, ulcers, cancers; improved pharmacokinetics CCKAR, CCKBR, GRPR SMN1; SMN2 1376/4885NPC1 3648/4885RAB9A 2121/4885

“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.