Sugi Predict

Sugi Predict / Compounds / SCHEMBL1745161

SCHEMBL1745161

SCHEMBL1745161

O=C1CCc2cc(-c3ccccc3)ccc21

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 4/20 0.71
▸ CYP1A2 P05177 1/20 0.66
▸ CYP11B1 P15538 1/20 0.66
▸ CYP11B2 P19099 1/20 0.66
▸ PARP10 Q53GL7 1/20 0.60
▸ PARP11 Q9NR21 1/20 0.60
▸ GRM5 P41594 2/20 0.57
▸ CASP1 P29466 1/20 0.53
▸ CASP7 P55210 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ TDP2 O95551 1/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ USP2 O75604 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ HPGD P15428 1/20 0.51

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
Dimethylamine SCHEMBL3994802 0.93 HSD17B1 (0.63) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL12762144 0.90 HSD17B1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL28655414 0.90 HSD17B1 (0.78) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL21222886 0.89 HSD17B1 (0.68) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL7584101 0.89 HSD17B1 (0.73) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL3994786 0.87 HSD17B1 (0.59) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL7180348 0.85 MEN1 (0.56) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL12762143 0.84 CYP1A2 (0.54) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL12762148 0.84 HSD17B1 (0.52) HSD17B1CYP1A2CYP11B1CYP11B2PARP10
SCHEMBL3989446 0.84 HSD17B1 (0.60) HSD17B1CYP1A2CYP11B1CYP11B2PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1559422-B1 RECEPTOR FUNCTION CONTROLLING AGENT TAKEDA PHARMACEUTICAL (JP) 2014-04-30 — — EP disclosed
EP-2385032-A1 GPR40 Receptor function regulator Takeda Pharmaceutical Company Limited (JP) 2011-11-09 — — EP disclosed
US-7960369-B2 Receptor function regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-14 — — US disclosed
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 — — US disclosed
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 — — US disclosed
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 — — US disclosed
US-20090012093-A1 Receptor Function Regulator TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-01-08 — — US disclosed
EP-1583530-A4 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIV VIRGINIA (US) 2008-07-23 — — EP disclosed
US-7220734-B2 1-(amino)indanes and (1,2-dihydro-3-amino)-benzofurans, benzothiophenes and indoles as Edg receptor agonists MERCK & CO., INC. (US) 2007-05-22 — — US disclosed
EP-1583530-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-10-12 — — EP disclosed
EP-1098891-B1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA GMBH (DE) 2005-08-10 — — EP disclosed
EP-1559422-A1 RECEPTOR FUNCTION CONTROLLING AGENT Takeda Pharmaceutical Company Limited (JP) 2005-08-03 — — EP disclosed
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-03 — — US disclosed
WO-2003061655-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-07-31 — — WO disclosed
EP-1098891-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS Aventis Pharma Deutschland GmbH (DE) 2001-05-16 — — EP disclosed
US-6159996-A Polycyclic thiazolidin-2-ylidene amines, process for their preparation, and their use as pharmaceuticals AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-12-12 — — US disclosed
WO-2000004006-A1 POLYCYCLIC THIAZOLIDIN-2-YLIDENE AMINES, METHOD FOR THE PRODUCTION AND USE THEREOF AS MEDICAMENTS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2000-01-27 — — WO disclosed
EP-0240859-B1 LIPOXYGENASE INHIBITING COMPOUNDS ABBOTT LABORATORIES (US) 1993-04-28 — — 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-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors ADORA1, ADORA2A, ADORA2B HSD17B1 4023/4885CYP1A2 2684/4885CYP11B1 1981/4885
US-20090012093-A1 Receptor Function Regulator GPR119, GIPR, INSR HSD17B1 1793/4885CYP1A2 4431/4885CYP11B1 2246/4885

“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.