SCHEMBL1299780

SCHEMBL1299780

CC1(COc2ccc(C=C3SC(=O)NC3=O)cc2)CCCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 1.00
PARP1 P09874 1/20 1.00
PIM1 P11309 3/20 0.65
PIM2 Q9P1W9 3/20 0.65
AKR1B1 P15121 1/20 0.58
NPC1 O15118 1/20 0.58
RAB9A P51151 1/20 0.58
MAOA P21397 1/20 0.57
MAOB P27338 1/20 0.57
PTGS2 P35354 1/20 0.57
GPR35 Q9HC97 1/20 0.57
CISD1 Q9NZ45 1/20 0.57
HRH3 Q9Y5N1 1/20 0.57

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
SCHEMBL1299778 1.00 HPGD (1.00) HPGDPARP1PIM1PIM2AKR1B1
SCHEMBL6865386 1.00 HPGD (1.00) HPGDPARP1PIM1PIM2AKR1B1
SCHEMBL12406319 0.88 PARP1 (0.79) HPGDPARP1PIM1PIM2AKR1B1
SCHEMBL2174761 0.88 PARP1 (0.79) HPGDPARP1PIM1PIM2AKR1B1
SCHEMBL2174757 0.88 PARP1 (0.79) HPGDPARP1PIM1PIM2AKR1B1
SCHEMBL12521789 0.85 HPGD (0.74) HPGDPARP1PIM1PIM2AKR1B1
SCHEMBL2173324 0.83 HPGD (0.71) HPGDPARP1PIM1PIM2PTGS2
SCHEMBL2173328 0.83 HPGD (0.71) HPGDPARP1PIM1PIM2PTGS2
SCHEMBL12406324 0.83 HPGD (0.71) HPGDPARP1PIM1PIM2PTGS2
SCHEMBL12406318 0.83 HPGD (0.70) HPGDPARP1CISD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9174951-B2 Glucose transporter inhibitors OHIO STATE INNOVATION FOUNDATION (US) 2015-11-03 US disclosed
US-20150051255-A1 GLUCOSE TRANSPORTER INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2015-02-19 US disclosed
EP-2383263-B1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF UNIV CHOSUN IACF (KR) 2014-04-16 EP disclosed
US-8637558-B2 Thiazolidinedione derivative and use thereof INDUSTRY-ACADEMIC COOPERATION FOUNDATION, CHOSUN UNIVERSITY (KR) 2014-01-28 US disclosed
WO-2013148994-A1 GLUCOSE TRANSPORTER INHIBITORS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2013-10-03 WO disclosed
US-8309582-B2 Small molecule Bcl-Xl/Bcl-2 binding inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2012-11-13 US disclosed
US-20110269954-A1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF INDUSTRY-ACADEMIC COOPERATION FOUNDATION, CHOSUN UNIVERSITY (KR) 2011-11-03 US disclosed
EP-2383263-A2 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF Industry-academic Cooperation Foundation, Chosun University (KR) 2011-11-02 EP disclosed
US-7973062-B2 Androgen receptor-ablative agents THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2011-07-05 US disclosed
US-20100168184-A1 SMALL MOLECULE BCL-X1/BCL-2 BINDING INHIBITORS NATIONAL INSTITUTES OF HEALTH 2010-07-01 US disclosed
US-7714005-B2 Small molecule Bcl-xL/Bcl-2 binding inhibitors THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2010-05-11 US disclosed
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS THE OHIO STATE UNIVERSITY RESEARCH FOUNDATION (US) 2009-11-26 US disclosed
US-7566787-B2 Small molecule cyclin D1 ablative agents THE OHIO STATE UNIVERSITY (US) 2009-07-28 US disclosed
US-20060252802-A1 Small molecule cyclin D1 ablative agents NIH - DEITR 2006-11-09 US disclosed
US-20060252801-A1 Small molecule Bcl-xL/Bcl-2 binding inhibitors NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2006-11-09 US 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-20060252801-A1 Small molecule Bcl-xL/Bcl-2 binding inhibitors BCL2L1, BCL2, BCL2L2 HPGD 2010/4885PARP1 83/4885PIM1 1940/4885
US-20090291992-A1 ANDROGEN RECEPTOR-ABLATIVE AGENTS AR, ESRRB, KLK3 HPGD 183/4885PARP1 1402/4885PIM1 4023/4885
US-20110269954-A1 NOVEL THIAZOLIDINEDIONE DERIVATIVE AND USE THEREOF HPGD, CYP27B1, GCDH HPGD 1/4885PARP1 3763/4885PIM1 4115/4885
US-20150051255-A1 GLUCOSE TRANSPORTER INHIBITORS SLC2A4, SLC2A1, SLC2A2 HPGD 1548/4885PARP1 4635/4885PIM1 2534/4885
US-20060252802-A1 Small molecule cyclin D1 ablative agents CDK4, CCNK, CCNA1 HPGD 597/4885PARP1 390/4885PIM1 591/4885
US-20100168184-A1 SMALL MOLECULE BCL-X1/BCL-2 BINDING INHIBITORS BCL2, BCL2L1, BCL2A1 HPGD 1917/4885PARP1 80/4885PIM1 2195/4885

“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.