SCHEMBL1606333

SCHEMBL1606333

CC(C)(C)OC(=O)NCCOc1ccc(C(=O)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.67
MAPK1 P28482 2/20 0.67
USP2 O75604 1/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
CA12 O43570 5/20 0.66
CA1 P00915 5/20 0.66
CA2 P00918 5/20 0.66
CA9 Q16790 5/20 0.66
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.52
CASP3 P42574 1/20 0.52
RAB9A P51151 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
PKM P14618 1/20 0.51
PDK2 Q15119 1/20 0.51
TP53 P04637 1/20 0.50
PLA2G4B P0C869 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48

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
SCHEMBL7488414 0.96 CA12 (0.67) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL30325046 0.92 CA12 (0.57) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL30325282 0.92 CA12 (0.57) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL15856108 0.92 CA12 (0.67) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL17162046 0.90 CA12 (0.61) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL5152100 0.89 CA12 (0.66) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL445487 0.87 CA1 (0.64) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL17675706 0.87 CA12 (0.67) CA12CA1CA2CA9NPC1
SCHEMBL21068676 0.86 CA12 (0.66) TSHRMAPK1USP2ALOX15HSD17B10
SCHEMBL4954650 0.86 CA12 (0.55) TSHRMAPK1USP2ALOX15HSD17B10

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
WO-2025054132-A1 ANTIBACTERIAL COMPOUNDS ARREPATH, INC. (US) 2025-03-13 WO disclosed
US-20240165106-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2024-05-23 US disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2023-08-03 US disclosed
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse ELYSIUM THERAPEUTICS, INC. (US) 2021-09-28 US disclosed
WO-2019189419-A1 ANTI-CANCER AGENT-BONDED ALGINIC ACID DERIVATIVE 持田製薬株式会社 2019-10-03 WO disclosed
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2019-06-20 US disclosed
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE ELYSIUM THERAPEUTICS, INC. 2019-06-20 US disclosed
EP-1753736-B1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 AMGEN INC (US) 2008-12-17 EP disclosed
US-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2008-02-21 US disclosed
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 AMGEN INC. 2007-12-06 US disclosed
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2007-08-23 US disclosed
US-7253196-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 AMGEN, INC. (US) 2007-08-07 US disclosed
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 AMGEN INC. 2006-06-29 US disclosed
EP-0760658-B1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 2002-11-13 EP disclosed
EP-0760658-A4 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO INC (US) 1997-09-17 EP disclosed
EP-0760658-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO. INC. (US) 1997-03-12 EP disclosed
WO-1995032710-A1 COMPOUNDS FOR INHIBITING OSTEOCLAST-MEDIATED BONE RESORPTION MERCK & CO., INC. (US) 1995-12-07 WO 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 (8 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-20080045503-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 TSHR 2428/4885MAPK1 1674/4885USP2 2885/4885
US-20240165106-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 TSHR 3864/4885MAPK1 3999/4885USP2 223/4885
US-20070197598-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 TSHR 2833/4885MAPK1 1338/4885USP2 3025/4885
US-20060142357-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD3B1, HSD17B1 TSHR 2428/4885MAPK1 1674/4885USP2 2885/4885
US-20230241054-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 TSHR 3864/4885MAPK1 3999/4885USP2 223/4885
US-11129825-B2 Polysubunit opioid prodrugs resistant to overdose and abuse OPRK1, OPRM1, CYP3A5 TSHR 3864/4885MAPK1 3999/4885USP2 223/4885
US-20190183884-A1 POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE OPRK1, OPRM1, CYP3A5 TSHR 3864/4885MAPK1 3999/4885USP2 223/4885
US-20070281938-A1 Inhibitors of 11-Beta-Hydroxy Steroid Dehydrogenase Type 1 HSD11B1, HSD3B1, HSD17B1 TSHR 2494/4885MAPK1 1636/4885USP2 2744/4885

“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.