SCHEMBL620339

SCHEMBL620339

O=C1CC(c2ccc(O)cc2)N1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 8/20 0.44
ESR1 P03372 2/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
YES1 P07947 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
CYP19A1 P11511 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38
TUBB4B P68371 1/20 0.38
TUBB3 Q13509 1/20 0.38
TUBB2A Q13885 1/20 0.38
TUBB8 Q3ZCM7 1/20 0.38
TUBA3E Q6PEY2 1/20 0.38
TUBA1A Q71U36 1/20 0.38
TUBA1C Q9BQE3 1/20 0.38
TUBB6 Q9BUF5 1/20 0.38

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
SCHEMBL29743248 1.00 ESR2 (0.44) ESR2ESR1KMT2AKDM4EMEN1
SCHEMBL3497573 0.82 ESR2 (0.56) ESR2ESR1KMT2AGUSB
SCHEMBL9800296 0.79 ESR2 (0.49) ESR2ESR1KMT2AGUSB
SCHEMBL8442229 0.78 SLC6A3 (0.43) KMT2AKDM4EMEN1CYP3A4MAPT
SCHEMBL21536565 0.78 GSK3B (0.50) KMT2AMAPK1
SCHEMBL12572359 0.78 GSK3B (0.50) KMT2AMAPK1
SCHEMBL14458014 0.77 ESR2 (0.51) ESR2ESR1GUSB
SCHEMBL157619 0.77 BRD4 (0.50) KMT2AKDM4EMEN1MAPT
SCHEMBL6247618 0.77 BRD4 (0.50) KMT2AKDM4EMEN1MAPT
SCHEMBL9295153 0.77 BRD4 (0.50) KMT2AKDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008124505-A2 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS,INC. (US) 2008-10-16 WO claimed
JP-2908031-B2 1999-06-21 JP claimed
EP-0792264-A1 SULFUR-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1997-09-03 EP claimed
WO-1996016037-A1 SULFUR-SUBSTITUTED AZETIDINONE COMPOUNDS USEFUL AS HYPOCHOLESTEROLEMIC AGENTS SCHERING CORPORATION (US) 1996-05-30 WO claimed
CN-114621299-B Preparation method of ezetimibe intermediate 江苏阿尔法药业股份有限公司 2023-11-03 CN disclosed
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES BAUSCH HEALTH IRELAND LTD (IE) 2020-04-16 US disclosed
US-10597424-B2 Agonists of guanylate cyclase and their uses BAUSCH HEALTH IRELAND LIMITED (IE) 2020-03-24 US disclosed
CN-105963676-B Agonists of guanylate cyclase for the treatment of hypercholesterolemia, atherosclerosis, coronary heart disease, gallstones, obesity and other cardiovascular diseases 药物协和股份有限公司 2020-02-18 CN disclosed
US-20190263861-A1 AGONISTS OF GUANYLATE CYCLASE AND THEIR USES JPMORGAN CHASE BANK, N.A. 2019-08-29 US disclosed
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS SYNERGY PHARMACEUTICALS INC (US) 2019-08-29 US disclosed
US-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders SYNERGY PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-10118946-B2 Agonists of guanylate cyclase and their uses SYNERGY PHARMACEUTICALS INC. (US) 2018-11-06 US disclosed
CN-101423515-A Novel preparation method of Ezetimibe HUANDA DU (CN) 2009-05-06 CN disclosed
CN-101426496-A Use of cholesterol lowering agents and/or H3Treatment of non-alcoholic fatty liver disease with receptor antagonists/inverse agonists SCHERING CORP (US) 2009-05-06 CN disclosed
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC. (US) 2009-02-26 US disclosed
WO-2008157537-A2 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS, INC (US) 2008-12-24 WO disclosed
WO-2008137318-A1 COMPOSITIONS AND METHODS FOR TREATING DISORDERS ASSOCIATED WITH SALT OR FLUID RETENTION IRONWOOD PHARMACEUTICALS, INC. (US) 2008-11-13 WO disclosed
WO-2008124505-A2 SOLUBLE GUANYLATE CYCLASE (SGC) MODULATORS FOR TREATMENT OF LIPID RELATED DISORDERS IRONWOOD PHARMACEUTICALS,INC. (US) 2008-10-16 WO disclosed
CN-101243072-A Piperidine derivatives useful as histamine H3 antagonists SCHERING CORP (US) 2008-08-13 CN disclosed
CN-1805926-A Process for the preparation of trans-isomers of diphenylazetidinone derivatives RANBAXY LAB LTD (IN) 2006-07-19 CN 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 (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-10238712-B2 Compositions useful for the treatment of gastrointestinal disorders GUCY1A1, TNF, GUCY1A2 ESR2 4419/4885ESR1 4831/4885KMT2A 4656/4885
US-20190262420-A1 COMPOSITIONS USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS GUCY1A1, TNF, GUCY1A2 ESR2 4419/4885ESR1 4831/4885KMT2A 4656/4885
US-20200113968-A1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR DOWNREGULATION OF PRO-INFLAMMATORY CYTOKINES GUCY1A1, GUCY1A2, GUCY1B2 ESR2 2942/4885ESR1 4435/4885KMT2A 4392/4885
US-20090054450-A1 COMPOSITIONS AND METHODS OF USE FOR TREATING OR PREVENTING LIPID RELATED DISORDERS LIPC, PNLIP, LIPA ESR2 2805/4885ESR1 4780/4885KMT2A 3307/4885

“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.