SCHEMBL1620832

SCHEMBL1620832

CCOC(=O)C(C)(C)SC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.41
CYP4A11 Q02928 3/20 0.41
ALDH1A1 P00352 3/20 0.40
PKM P14618 3/20 0.39
MMP8 P22894 2/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TP53 P04637 1/20 0.38
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
ABCB11 O95342 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL4289567 0.83 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL4080954 0.79 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL1620624 0.77 CYP4F2 (0.41) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL2867509 0.76 CYP4F2 (0.44) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL18113120 0.76 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL469311 0.76 ALDH1A1 (0.42) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL11685760 0.76 CYP4F2 (0.40) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL4293341 0.74 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL18113225 0.74 ALOX15 (0.44) CYP4F2CYP4A11ALDH1A1PKMMMP8
SCHEMBL1621322 0.74 MMP8 (0.44) CYP4F2CYP4A11ALDH1A1PKMMMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 US claimed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 US claimed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
US-8829034-B2 Compounds which modulate the CB2 receptor Boehringer Ingerlheim International GmbH (DE) 2014-09-09 US disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
EP-2074084-B1 COMPOUNDS WHICH MODULATE THE CB2 RECEPTOR BOEHRINGER INGELHEIM INT (DE) 2013-08-28 EP disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-06-02 US disclosed
US-7928123-B2 Compounds which modulate the CB2 receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-04-19 US disclosed
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 US disclosed
US-7615661-B2 Thioester compounds and their use in fragrance or flavor applications INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2009-11-10 US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 US disclosed
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS INTERNATIONAL FLAVORS & FRAGRANCES INC. 2009-09-17 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 CYP4F2 4242/4885CYP4A11 2302/4885ALDH1A1 2404/4885
US-20090232747-A1 THIOESTER COMPOUNDS AND THEIR USE IN FRAGRANCE OR FLAVOR APPLICATIONS ACOT7, PPT1, LYPLA1 CYP4F2 1280/4885CYP4A11 3424/4885ALDH1A1 411/4885
US-20110130431-A1 Compounds Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 CYP4F2 1227/4885CYP4A11 505/4885ALDH1A1 2203/4885

“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.