SCHEMBL2364276

SCHEMBL2364276

O=C(O)C1(OS(=O)(=O)O)CCc2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 2/20 0.41
SIGMAR1 Q99720 1/20 0.37
EPHX2 P34913 2/20 0.37
EPHX1 P07099 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
DAGLA Q9Y4D2 4/20 0.35
ABHD6 Q9BV23 2/20 0.35
HCAR2 Q8TDS4 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KCNH2 Q12809 1/20 0.34
PPARG P37231 6/20 0.33
PPARA Q07869 6/20 0.33

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
Sulfuric Acid SCHEMBL2364277 0.75 TRPM8 (0.44) TRPM8SIGMAR1EPHX2EPHX1DRD2
SCHEMBL29455981 0.73 TRPM8 (0.47) TRPM8SIGMAR1PPARGPPARA
SCHEMBL3519974 0.73 TRPM8 (0.47) TRPM8SIGMAR1PPARGPPARA
SCHEMBL8410197 0.72 TRPM8 (0.49) TRPM8SIGMAR1EPHX2EPHX1DRD2
SCHEMBL2283973 0.71 TRPM8 (0.48) TRPM8SIGMAR1EPHX2EPHX1DRD2
SCHEMBL15882569 0.71 TRPM8 (0.48) TRPM8SIGMAR1EPHX2EPHX1DRD2
SCHEMBL17476110 0.70 TRPM8 (0.41) TRPM8SIGMAR1EPHX2EPHX1DRD2
SCHEMBL3866661 0.69 TRPM8 (0.53) TRPM8EPHX2DRD2CYP2C9CYP2C19
SCHEMBL4551228 0.69 TRPM8 (0.46) TRPM8SIGMAR1EPHX2EPHX1DRD2
SCHEMBL6467973 0.68 SIGMAR1 (0.45) TRPM8SIGMAR1EPHX2EPHX1DRD2

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170296505-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS PURDUE RESEARCH FOUNDATION (US) 2017-10-19 US disclosed
US-9676744-B2 Long-chain carboxychromanols and analogs for use as anti-inflammatory agents PURDUE RESEARCH FOUNDATION (US) 2017-06-13 US disclosed
US-20150073044-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2015-03-12 US disclosed
US-8822529-B2 Long-chain carboxychromanols and analogs for use as anti-inflammatory agents PURDUE RESEARCH FOUNDATION (US) 2014-09-02 US disclosed
US-20110207808-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS PURDUE RESEARCH FOUNDATION (US) 2011-08-25 US disclosed
WO-2010033687-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS PURDUE RESEARCH FOUNDATION (US) 2010-03-25 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-20110207808-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS ALOX12, ALOX5, ALOX15 TRPM8 3243/4885SIGMAR1 1228/4885EPHX2 50/4885
US-20150073044-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS ALOX12, ALOX5, PTGS1 TRPM8 3141/4885SIGMAR1 1154/4885EPHX2 55/4885
US-20170296505-A1 LONG-CHAIN CARBOXYCHROMANOLS AND ANALOGS FOR USE AS ANTI-INFLAMMATORY AGENTS ALOX12, ALOX5, PTGS1 TRPM8 3141/4885SIGMAR1 1154/4885EPHX2 55/4885

“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.