SCHEMBL766758

SCHEMBL766758

CC(=O)SCC1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.37
ACE P12821 4/20 0.36
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL10171752 0.88 ACE (0.34) PIK3CDACE
SCHEMBL10171754 0.88 ACE (0.34) PIK3CDACE
SCHEMBL29923053 0.88 ACE (0.34) PIK3CDACE
Acetic Acid SCHEMBL9900974 0.80 ACE (0.46) ACEJAK2JAK1TYK2JAK3
SCHEMBL5641934 0.78 EPHX1 (0.43) ACE
Ammonia Solution, Strong SCHEMBL7435862 0.78 ACE (0.39) ACEJAK2JAK1TYK2JAK3
Acetic Acid SCHEMBL9900145 0.78 ACE (0.45) ACEJAK2JAK1TYK2JAK3
SCHEMBL2019399 0.77 GPR119 (0.37) ACESMN1; SMN2CYP2C19
Acetic Acid SCHEMBL9900147 0.77 ACE (0.37) ACEJAK2JAK1TYK2JAK3
SCHEMBL6274517 0.75 ALOX15 (0.42) ACEJAK2JAK1TYK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2025-07-01 US disclosed
US-20250051329-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC (US) 2025-02-13 US disclosed
US-12220419-B2 BCL-2 inhibitors NEWAVE PHARMACEUTICAL INC. (US) 2025-02-11 US disclosed
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2024-03-21 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2023-08-15 US disclosed
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. 2022-11-24 US disclosed
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-05-05 US disclosed
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2022-05-05 US disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-25 US disclosed
EP-2074084-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR Boehringer Ingelheim International GmbH (DE) 2009-07-01 EP disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
US-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 US disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 WO disclosed
WO-2008039645-A1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-04-03 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 (9 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-20080081822-A1 N-(5-tert-Butyl-isoxazol-3-yl)-2-cyclohexanesulfonyl-2-methyl-propionamide; cannabinoid receptor agonist, antagonist; analgesic, antiinflammatory and antitumor agent; neuropatic pain CNR2, CNR1, OPRL1 PIK3CD 2728/4885ACE 3798/4885JAK2 1197/4885
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 PIK3CD 459/4885ACE 3789/4885JAK2 560/4885
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 PIK3CD 459/4885ACE 3789/4885JAK2 560/4885
US-12220419-B2 BCL-2 inhibitors BCL2L10, BCL2, BCL2L11 PIK3CD 1949/4885ACE 4533/4885JAK2 251/4885
US-20250051329-A1 BCL-2 INHIBITORS BCL2L1, BCL2, BCL2A1 PIK3CD 3566/4885ACE 4308/4885JAK2 137/4885
US-20220372042-A1 CONDENSED HETEROCYCLES AS BCL-2 INHIBITORS BCL2L11, BCL2L10, BCL2 PIK3CD 2617/4885ACE 4491/4885JAK2 337/4885
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 PIK3CD 1652/4885ACE 3443/4885JAK2 1358/4885
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 PIK3CD 511/4885ACE 3773/4885JAK2 586/4885
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 PIK3CD 459/4885ACE 3789/4885JAK2 560/4885

“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.