SCHEMBL835045

SCHEMBL835045

O=C(Cl)Cc1ccc(F)cc1F

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
AGXT P21549 2/20 0.46
MAPK8 P45983 1/20 0.46
CES2 O00748 2/20 0.45
CES1 P23141 2/20 0.45
MAOB P27338 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
RIPK1 Q13546 2/20 0.43
P2RX7 Q99572 3/20 0.43
KDM4E B2RXH2 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GSK3B P49841 1/20 0.40
BACE1 P56817 1/20 0.40
DAO P14920 1/20 0.39

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
SCHEMBL31078296 1.00 IDO1 (0.46) IDO1AGXTMAPK8CES2CES1
SCHEMBL1115269 0.84 MAPK8 (0.52) IDO1AGXTMAPK8CES2CES1
SCHEMBL16257133 0.84 IDO1 (0.46) IDO1AGXTMAPK8CES2CES1
SCHEMBL892996 0.84 MAPK8 (0.46) MAPK8CES2CES1SIGMAR1RIPK1
SCHEMBL30148003 0.84 MAPK8 (0.52) IDO1AGXTMAPK8CES2CES1
SCHEMBL1288294 0.83 IDO1 (0.48) IDO1AGXTMAPK8CES2CES1
SCHEMBL1488965 0.82 ERCC1 (0.47) P2RX7
Hydrochloric Acid SCHEMBL8894497 0.82 IDO1 (0.52) IDO1AGXTMAPK8CES2CES1
SCHEMBL837008 0.82 ALDH1A1 (0.46) P2RX7KDM4E
SCHEMBL503325 0.82 TSHR (0.53) IDO1AGXTMAPK8CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110036014-B Compound with AXL inhibitory activity and preparation and application thereof 中国科学院上海药物研究所 2021-09-07 CN disclosed
EP-3330272-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-17 EP disclosed
EP-3330272-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2021-02-17 EP disclosed
EP-2931730-B1 4-PYRIDINONETRIAZINE DERIVATIVES AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-07 EP disclosed
CN-110036014-A A kind of compound and its preparation and application with AXL inhibitory activity 中国科学院上海药物研究所 2019-07-19 CN disclosed
CN-108250200-A A kind of compound and its preparation and application with Axl inhibitory activity 中国科学院上海药物研究所 2018-07-06 CN disclosed
WO-2018121228-A1 COMPOUND HAVING AXL INHIBITORY ACTIVITY, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2018-07-05 WO disclosed
EP-3330272-A1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-06 EP disclosed
EP-3330272-A1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-06-06 EP disclosed
EP-2997033-B1 FUSED TRICYCLIC HETEROCYCLIC COMPOUNDS AS HIV INTEGRASE INHIBITORS MERCK SHARP & DOHME (US) 2017-11-15 EP disclosed
WO-2006056752-A1 PHENOXYACETIC ACID DERIVATIVES USEFUL FOR TREATING RESPIRATORY DISEASES ASTRAZENECA AB (SE) 2006-06-01 WO disclosed
WO-2006035282-A2 MUSCARINIC RECEPTOR ANTAGONISTS RANBAXY LABORATORIES LIMITED (IN) 2006-04-06 WO disclosed
US-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors SEPRACOR INC. (US) 2005-06-30 US disclosed
US-6699904-B2 PEROXISOME PROLIFERATOR ACTIVATOR RECEPTOR (PPAR) AGONISTS; ATHEROSCLEROSIS AND CARDIOVASCULAR DISORDERS; FOR EXAMPLE, 3-(4-(2-(3-(2,4-DIMETHOXY-PHENYL)-1-HEPTYL-UREIDO)-ETHYL)-PHENYL)-2-ETHOXY -PROPIONIC ACID PFIZER INC. 2004-03-02 US disclosed
EP-1360172-A1 PPAR AGONISTS Pfizer Products Inc. (US) 2003-11-12 EP disclosed
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid HAYWARD CHERYL M (US) 2002-11-07 US disclosed
WO-2002064549-A1 PPAR AGONISTS PFIZER PRODUCTS INC. (US) 2002-08-22 WO disclosed
US-5418239-A ACYLCOENZYME A:CHOLESTEROL ACYLTRANSFERASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-23 US disclosed
US-5264454-A Enzyme inhibitors, anticholesterol agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-11-23 US disclosed
EP-0481243-A1 Tricyclic heterocyclic compounds, their production and use Takeda Chemical Industries, Ltd. (JP) 1992-04-22 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 (2 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-20050143443-A1 Pyrrole and pyrazole DAAO inhibitors DDO, DAO, SRR IDO1 2500/4885AGXT 250/4885MAPK8 1937/4885
US-20020165282-A1 Peroxisome proliferator activator receptor (PPAR) agonists; atherosclerosis and cardiovascular disorders; for example, 3-(4-(2-(3-(2,4-dimethoxy-phenyl)-1-heptyl-ureido)-ethyl)-phenyl)-2-ethoxy -propionic acid PPARA, PPARG, PPARD IDO1 4280/4885AGXT 918/4885MAPK8 2035/4885

“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.