SCHEMBL691629

SCHEMBL691629

C#CCOCC(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.44
MGAM O43451 1/20 0.44
SI P14410 1/20 0.44
MGAM2 Q2M2H8 1/20 0.44
ALDH1A1 P00352 3/20 0.41
TRPA1 O75762 1/20 0.41
TSHR P16473 2/20 0.38
CYP1A2 P05177 1/20 0.36
NLRP3 Q96P20 4/20 0.36
LMNA P02545 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
ALOX15 P16050 1/20 0.34
SOAT1 P35610 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.33

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
SCHEMBL20699464 0.89 TSHR (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL25281704 0.89 TSHR (0.42) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10363461 0.85 GAA (0.48) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL27878784 0.83 L3MBTL1 (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL3296953 0.81 GAA (0.46) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL12199074 0.80 GAA (0.41) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL1140911 0.80
SCHEMBL2682415 0.79 GAA (0.60) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL23833349 0.79 GAA (0.44) GAAMGAMSIMGAM2ALDH1A1
SCHEMBL10012587 0.79 TSHR (0.47) ALDH1A1TSHRNPC1

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
US-12570672-B2 Macrocyclic compounds and methods of use AMGEN INC. 2026-03-10 US disclosed
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-10-02 US disclosed
EP-4598921-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE Amgen Inc. (US) 2025-08-13 EP disclosed
US-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2025-07-24 US disclosed
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2024-09-05 US disclosed
WO-2024107686-A1 MACROCYCLIC KRAS INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2024-05-23 WO disclosed
EP-3727355-A1 COMPOUNDS AND THEIR USE IN TREATING CANCER AstraZeneca AB (SE) 2020-10-28 EP disclosed
CN-111491623-A Compounds and their use in the treatment of cancer 阿斯利康(瑞典)有限公司 2020-08-04 CN disclosed
US-20190194190-A1 Compounds and Their Use in Treating Cancer ASTRAZENECA PHARMACEUTICALS LP 2019-06-27 US disclosed
US-9243000-B2 Thia-triaza-indacenes BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2016-01-26 US disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
EP-2421872-B1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INT (DE) 2015-06-10 EP disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
US-20120108618-A1 THIA-TRIAZA-INDACENES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 US disclosed
EP-2421872-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER Boehringer Ingelheim International GmbH (DE) 2012-02-29 EP disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
WO-2010122091-A1 THIA-TRIAZA-AS-INDACENES AS PI3-KINASES INHIBITORS FOR THE TREATMENT OF CANCER BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 WO disclosed
US-20090181942-A1 TRICYCLIC COMPOUNDS DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-07-16 US disclosed
EP-1939205-A1 TRICYCLIC COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-07-02 EP disclosed
US-4487781-A HEAT RESISTANCE; PHOTOSTABILITY SANKYO COMPANY LIMITED (JP) 1984-12-11 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 (7 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-20250236631-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS GAA 1665/4885MGAM 4067/4885SI 3057/4885
US-12570672-B2 Macrocyclic compounds and methods of use KRAS, NRAS, BRAF GAA 4444/4885MGAM 4317/4885SI 1899/4885
US-20250304599-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS GAA 1665/4885MGAM 4067/4885SI 3057/4885
US-20120108618-A1 THIA-TRIAZA-INDACENES CCNA1, MKI67, CCNT1 GAA 980/4885MGAM 4398/4885SI 3196/4885
US-20240294551-A1 MACROCYCLIC COMPOUNDS AND METHODS OF USE KRAS, NRAS, HRAS GAA 1665/4885MGAM 4067/4885SI 3057/4885
US-20090181942-A1 TRICYCLIC COMPOUNDS FDFT1, COASY, HMGCR GAA 922/4885MGAM 2723/4885SI 1638/4885
US-20190194190-A1 Compounds and Their Use in Treating Cancer F12, CCNY, CCNE1 GAA 490/4885MGAM 2541/4885SI 404/4885

“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.