Sugi Predict

Sugi Predict / Compounds / SCHEMBL427700

SCHEMBL427700

SCHEMBL427700

Oc1ccc2c(c1)OC/C2=N\Nc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.47
▸ ESR2 Q92731 9/20 0.47
▸ MEN1 O00255 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ LMNA P02545 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ SENP7 Q9BQF6 2/20 0.40
▸ SENP6 Q9GZR1 2/20 0.40
▸ POLB P06746 2/20 0.40
▸ TYK2 P29597 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ IRAK4 Q9NWZ3 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ APAF1 O14727 1/20 0.40
▸ PAX8 Q06710 1/20 0.40
▸ BRSK1 Q8TDC3 1/20 0.40
▸ FES P07332 1/20 0.38
▸ FER P16591 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
SCHEMBL427701 1.00 ESR1 (0.47) ESR1ESR2MEN1GAAKMT2A
SCHEMBL425126 0.89 TYK2 (0.45) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL425125 0.89 TYK2 (0.45) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL431184 0.85 GAA (0.40) ESR1ESR2MEN1GAAKMT2A
SCHEMBL431185 0.85 GAA (0.40) ESR1ESR2MEN1GAAKMT2A
SCHEMBL10198961 0.85 GAA (0.40) ESR1ESR2MEN1GAAKMT2A
SCHEMBL13759062 0.85 ESR2 (0.43) ESR1ESR2
SCHEMBL429537 0.84 GAA (0.39) ESR1ESR2MEN1GAAKMT2A
SCHEMBL429536 0.84 GAA (0.39) ESR1ESR2MEN1GAAKMT2A
SCHEMBL10197273 0.84 GAA (0.39) ESR1ESR2MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 — — US claimed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 — — US claimed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 — — US claimed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 — — US claimed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 — — WO claimed
US-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. 2018-04-05 — — US disclosed
US-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. 2018-04-05 — — US disclosed
WO-2016168420-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. (US) 2016-10-20 — — WO disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 — — US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 — — US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 — — US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 — — US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 — — US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 — — US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 — — US disclosed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 — — US disclosed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 — — 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 (6 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ESR1 3770/4885ESR2 807/4885MEN1 3751/4885
US-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 ESR1 4451/4885ESR2 1676/4885MEN1 4071/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 ESR1 4451/4885ESR2 1676/4885MEN1 4071/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ESR1 4178/4885ESR2 3960/4885MEN1 293/4885
US-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS GAA, GBA1, MAN2B1 ESR1 4856/4885ESR2 4776/4885MEN1 2037/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ESR1 3770/4885ESR2 807/4885MEN1 3751/4885

“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.