SCHEMBL2580163

SCHEMBL2580163

C=C(CC#N)C(=O)OCC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.59
TSHR P16473 1/20 0.59
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP2C9 P11712 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MCL1 Q07820 4/20 0.38
NPSR1 Q6W5P4 1/20 0.36
GLO1 Q04760 1/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALOX15 P16050 1/20 0.34
MGAM O43451 1/20 0.34
SI P14410 1/20 0.34
MGAM2 Q2M2H8 1/20 0.34
SOAT1 P35610 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL13227483 0.85 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ACYP2C9
SCHEMBL3871222 0.81 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ACYP2C9
SCHEMBL18327114 0.80 ALDH1A1 (0.55) ALDH1A1TSHRMEN1KMT2ACYP2C9
SCHEMBL11781459 0.79 TSHR (0.36) ALDH1A1TSHRMEN1KMT2AMCL1
SCHEMBL2576522 0.79 TSHR (0.55) ALDH1A1TSHRMEN1KMT2AMAPT
SCHEMBL2580189 0.78
SCHEMBL1739415 0.78 ALDH1A1 (0.52) ALDH1A1TSHRMEN1KMT2ACYP2C9
SCHEMBL29229764 0.78 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ACYP2C9
SCHEMBL10204622 0.78 TSHR (0.38) ALDH1A1TSHRMCL1
SCHEMBL30134430 0.77 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2023-08-17 US disclosed
US-11654199-B2 Thienoazepine immunoconjugates, and uses thereof BOLT BIOTHERAPEUTICS, INC. (US) 2023-05-23 US disclosed
US-11186011-B2 Method for producing thermally crosslinkable polymers in a planetary roller extruder ENTEX RUST & MITSCHKE GMBH (DE) 2021-11-30 US disclosed
US-20200055214-A1 Method for Producing Thermally Crosslinkable Polymers in a Planetary Roller Extruder ENTEX RUST & MITSCHKE GMBH (DE) 2020-02-20 US disclosed
CN-108368220-A Reactive resins made from renewable sources 汉高知识产权控股有限责任公司 2018-08-03 CN disclosed
US-9655904-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2017-05-23 US disclosed
US-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS VENTIRX PHARMACEUTICALS, INC. (US) 2016-05-19 US disclosed
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators VENTIRX PHARMACEUTICALS INC (US) 2016-05-12 US disclosed
US-9242964-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2016-01-26 US disclosed
US-9126940-B2 Substituted benzoazepines as toll-like receptor modulators VENTIRX PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
CN-101848565-A Heated area element TESA SE 2010-09-29 CN disclosed
EP-1998222-A2 Coating compositions Rohm and Haas Electronic Materials LLC (US) 2008-12-03 EP disclosed
US-20080248331-A1 Coating composition ROHM AND HAAS ELECTRONIC MATERIALS LLC (US) 2008-10-09 US disclosed
CN-1691936-A Combined immediate release and extended release analgesic composition ENDO PHARMACEUTICALS INC (US) 2005-11-02 CN disclosed
US-20050192309-A1 Method of preventing abuse of opioid dosage forms PALERMO PHILIP J (US) 2005-09-01 US disclosed
US-20050021152-A1 Medical articles incorporating surface capillary fiber MEDTRONIC, INC. 2005-01-27 US disclosed
US-20020173770-A1 Adhesive delivery system ST. JUDE MEDICAL, INC. 2002-11-21 US disclosed
EP-1146917-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2001-10-24 EP disclosed
WO-2000043050-A1 MEDICAL ADHESIVES ST. JUDE MEDICAL, INC. (US) 2000-07-27 WO disclosed
US-4032597-A GRAFT POLYMER OF AN ACRYLONITRILE AND AN ACRYLIC ESTER SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-06-28 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 (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-20160137608-A1 SUBSTITUTED BENZOAZEPINES AS TOLL-LIKE RECEPTOR MODULATORS TLR8, TLR1, TLR7 ALDH1A1 1667/4885TSHR 2731/4885MEN1 4256/4885
US-20160129010-A1 Substituted Benzoazepines as Toll-Like Receptor Modulators TLR8, TLR7, TLR9 ALDH1A1 2553/4885TSHR 2218/4885MEN1 4503/4885
US-11654199-B2 Thienoazepine immunoconjugates, and uses thereof ICOS, CYP3A5, TPH1 ALDH1A1 200/4885TSHR 623/4885MEN1 1637/4885
US-20230257393-A1 MACROMOLECULE-SUPPORTED THIENOAZEPINE COMPOUNDS, AND USES THEREOF HTR3D, PNMT, HTR3B ALDH1A1 202/4885TSHR 1249/4885MEN1 214/4885

“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.