SCHEMBL6911921

SCHEMBL6911921

CC(=O)CCS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.69
KMT2A Q03164 7/20 0.69
LMNA P02545 3/20 0.69
HTT P42858 2/20 0.69
GAA P10253 2/20 0.69
MEN1 O00255 1/20 0.69
MAPT P10636 2/20 0.67
POLB P06746 1/20 0.67
CYP3A4 P08684 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
PAX8 Q06710 2/20 0.59
TP53 P04637 1/20 0.55
P4HB P07237 1/20 0.55
TSHR P16473 1/20 0.55
MAPK1 P28482 1/20 0.55
HSD17B10 Q99714 1/20 0.55
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55

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
Ethylene SCHEMBL9048687 0.96 KMT2A (0.65) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL5049885 0.90 KMT2A (0.57) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL5056819 0.90 KMT2A (0.57) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL5054683 0.90 KMT2A (0.57) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL28141709 0.87 KMT2A (0.61) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL7704838 0.85 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAHTTMAPT
SCHEMBL9316766 0.83 ALDH1A1 (0.67) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL7868868 0.83 KMT2A (0.61) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL20577928 0.83 KMT2A (0.62) ALDH1A1KMT2ALMNAHTTGAA
SCHEMBL3062774 0.83 ALDH1A1 (0.68) ALDH1A1KMT2ALMNAMAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3613755-A1 LYSINE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USING MICROBIAL TRANSGLUTAMINASE Novartis AG (CH) 2020-02-26 EP disclosed
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS NOVARTIS AG 2016-08-18 US disclosed
US-9359400-B2 Site-specific chemoenzymatic protein modifications NOVARTIS AG (CH) 2016-06-07 US disclosed
US-20160102053-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-04-14 US disclosed
US-9108955-B2 Heterocyclic inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-08-18 US disclosed
WO-2015006728-A2 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS USERA AIMEE (US) 2015-01-15 WO disclosed
US-20140128437-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-05-08 US disclosed
US-8658689-B2 Heterocyclic inhibitors of necroptosis PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-02-25 US disclosed
US-8399448-B2 6-amino-pyrimidine-4-carboxamide derivatives and related compounds which bind to the sphingosine 1-phosphate (S1P) receptor for the treatment of multiple sclerosis MERCK SERONO SA (CH) 2013-03-19 US disclosed
US-20120309795-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2012-12-06 US disclosed
US-6727294-B2 RADIATION TRANSPARENT MOLDING MATERIALS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2004-04-27 US disclosed
EP-0794218-B1 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENG PLASTICS CORP (JP) 2003-10-15 EP disclosed
EP-0753540-B1 Polycarbonate resin composition MITSUBISHI ENG PLASTICS CORP (JP) 2003-06-11 EP disclosed
US-6359028-B1 USED IN MEDICAL EQUIPMENT, DISCOLORATION INHIBITION MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2002-03-19 US disclosed
US-20010034419-A1 Radiation transparent molding materials MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2001-10-25 US disclosed
US-6040367-A EXCELLENT RESISTANCE TO AN IONIZING RADIATION, IN WHICH HETEROCYCLIC COMPOUND CONTAINING OXYMETHYLENE UNITS MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 2000-03-21 US disclosed
US-5977206-A Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-11-02 US disclosed
US-5948838-A 0.01 TO 5 PARTS BY WEIGHT OF A COMPOUND CONTAINING OXYMETHYLENE UNIT MITSUBISHI ENGINEERING-PLASTICS CORP. (JP) 1999-09-07 US disclosed
EP-0794218-A2 Polycarbonate resin composition stabilized against radiation MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-09-10 EP disclosed
EP-0753540-A2 Polycarbonate resin composition MITSUBISHI ENGINEERING-PLASTICS CORPORATION (JP) 1997-01-15 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 (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-20160102053-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 ALDH1A1 4587/4885KMT2A 3599/4885LMNA 2087/4885
US-20160237116-A1 SITE-SPECIFIC CHEMOENZYMATIC PROTEIN MODIFICATIONS PTMS, TGM3, TGM1 ALDH1A1 3164/4885KMT2A 198/4885LMNA 4444/4885
US-20140128437-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 ALDH1A1 4587/4885KMT2A 3599/4885LMNA 2087/4885
US-20120309795-A1 HETEROCYCLIC INHIBITORS OF NECROPTOSIS TNF, RIPK1, RIPK3 ALDH1A1 4587/4885KMT2A 3599/4885LMNA 2087/4885

“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.