SCHEMBL694512

SCHEMBL694512

CNCCCCC(=O)OC

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.64
LMNA P02545 3/20 0.50
ALDH1A1 P00352 1/20 0.50
EPHX2 P34913 4/20 0.46
CA12 O43570 3/20 0.45
CA14 Q9ULX7 3/20 0.45
RECQL P46063 1/20 0.45
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KDM4A O75164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL436882 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL132440 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL17995288 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL17995286 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL18724660 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL24310000 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL2807700 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
SCHEMBL6878250 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
Hydrochloric Acid SCHEMBL693677 0.98 TSHR (0.61) TSHRLMNAALDH1A1EPHX2CA12
Hydrochloric Acid SCHEMBL28920801 0.96 TSHR (0.58) TSHRLMNAALDH1A1EPHX2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4712961-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2026-03-25 EP disclosed
WO-2024238633-A2 KRAS G12S AND G12C INHIBITORS Mirati Therapeutics, Inc. (US) 2024-11-21 WO disclosed
CN-111205244-B Thiazolo-ring compound, preparation method, intermediate and application thereof 上海科技大学 2023-08-18 CN disclosed
CN-107849035-B Phenyl heterocyclic derivative and application thereof in medicine 四川海思科制药有限公司 2021-12-10 CN disclosed
WO-2021219072-A1 PREPARATION AND APPLICATION METHOD OF HETEROCYCLIC COMPOUND AS KRAS INHIBITOR 上海科州药物研发有限公司 (CN) 2021-11-04 WO disclosed
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2021-01-28 US disclosed
US-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-11-17 US disclosed
CN-107108562-B With β2ReceptorsNitrogen-containing heterocyclic ring derivative with agonistic and M receptor antagonistic activities and application thereof in medicine 四川海思科制药有限公司 2020-07-10 CN disclosed
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity THERAVANCE RESPIRATORY COMPANY, LLC 2020-05-28 US disclosed
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity THERAVANCE RESPIRATORY COMPANY, LLC (US) 2020-03-17 US disclosed
US-20130331364-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2013-12-12 US disclosed
US-8551978-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2013-10-08 US disclosed
EP-2599778-A1 Diamide Compounds having Muscarinic Receptor Antagonist and Beta 2 Adrenergic Receptor Agonist Activity Theravance Inc (US) 2013-06-05 EP disclosed
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2013-05-30 US disclosed
EP-2421849-B1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE INC (US) 2013-04-03 EP disclosed
CN-102405218-A Muscarinic receptor antagonists and beta2Diamide compounds having adrenergic receptor agonist activity THERAVANCE INC 2012-04-04 CN disclosed
US-8138345-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity THERAVANCE, INC. (US) 2012-03-20 US disclosed
EP-2421849-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY Theravance, Inc. (US) 2012-02-29 EP disclosed
WO-2010123766-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND β2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE, INC. (US) 2010-10-28 WO disclosed
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY THERAVANCE BIOPHARMA R&D IP, LLC 2010-10-28 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 (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-10836744-B2 Diamide compounds having muscarinic receptor antagonist and β2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2A TSHR 77/4885LMNA 4252/4885ALDH1A1 1282/4885
US-20130331364-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A TSHR 133/4885LMNA 3228/4885ALDH1A1 857/4885
US-20210024493-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TSHR 193/4885LMNA 3688/4885ALDH1A1 1382/4885
US-10590107-B2 Diamide compounds having muscarinic receptor antagonist and Beta2 adrenergic receptor agonist activity ADRB2, ADRB1, ADRA2B TSHR 90/4885LMNA 3977/4885ALDH1A1 1263/4885
US-20200165223-A1 Diamide Compounds Having Muscarinic Receptor Antagonist and Beta2 Adrenergic Receptor Agonist Activity ADRB2, ADRB1, ADRA2B TSHR 90/4885LMNA 3977/4885ALDH1A1 1263/4885
US-20100273755-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A TSHR 133/4885LMNA 3228/4885ALDH1A1 857/4885
US-20130137665-A1 DIAMIDE COMPOUNDS HAVING MUSCARINIC RECEPTOR ANTAGONIST AND BETA2 ADRENERGIC RECEPTOR AGONIST ACTIVITY ADRB2, ADRB1, ADRA2A TSHR 133/4885LMNA 3228/4885ALDH1A1 857/4885

“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.