SCHEMBL469314

SCHEMBL469314

CC(C)(C(=O)O)S(=O)(=O)CCCC(F)(F)F

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.45
CNR1 P21554 4/20 0.45
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALOX15 P16050 1/20 0.31

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
SCHEMBL1691082 0.88 CNR2 (0.35) CNR2CNR1ALDH1A1L3MBTL1
SCHEMBL469446 0.83 CNR2 (0.44) CNR2CNR1ALOX15
SCHEMBL1621319 0.78 MMP1 (0.38) ALDH1A1ALOX15
SCHEMBL469287 0.78 CNR2 (0.41) CNR2CNR1L3MBTL1
SCHEMBL12824349 0.77 CNR2 (0.38) CNR2CNR1ALOX15
SCHEMBL10868008 0.74 CA2 (0.47) ALDH1A1ALOX15
SCHEMBL469283 0.74 CES1 (0.38) CNR2CNR1
SCHEMBL13391492 0.74 CNR2 (0.41) CNR2CNR1ALDH1A1
SCHEMBL14227527 0.74 CNR2 (0.36) CNR2CNR1ALOX15
SCHEMBL1620945 0.73 NOS2 (0.37) ALDH1A1

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 94 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-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-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
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2021-08-10 US disclosed
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CENTREXION THERAPEUTICS CORPORATION (US) 2021-08-10 US disclosed
US-20200262830-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2020-08-20 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 US disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036631-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO disclosed
WO-2010036630-A2 COMPOUNDS WHICH SELECTIVELY MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 WO 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

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-20200262830-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ALDH1A1 3033/4885
US-11725004-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ALDH1A1 2937/4885
US-20100081644-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ALDH1A1 2112/4885
US-20240092769-A1 (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ALDH1A1 2937/4885
US-11084810-B2 (Cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ALDH1A1 2937/4885
US-20100076029-A1 Compounds Which Selectively Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CNR2 1/4885CNR1 2/4885ALDH1A1 2112/4885
US-20220135554-A1 NOVEL (CYANO-DIMETHYL-METHYL)-ISOXAZOLES AND -[1,3,4]THIADIAZOLES CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ALDH1A1 3033/4885
US-12344601-B2 (cyano-dimethyl-methyl)-isoxazoles and -[1,3,4]thiadiazoles CNR1, CNR2, GPR18 CNR2 2/4885CNR1 1/4885ALDH1A1 2937/4885

“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.