SCHEMBL11024375

SCHEMBL11024375

Cc1ccc(S(=O)(=O)OC2CC(OS(=O)(=O)c3ccc(C)cc3)C2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.58
CYP1A2 P05177 1/20 0.51
GAA P10253 2/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 2/20 0.46
NAAA Q02083 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 2/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
VDR P11473 1/20 0.42
TLR9 Q9NR96 1/20 0.42
LMNA P02545 1/20 0.40

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
SCHEMBL14780313 1.00 CYP2D6 (0.58) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL11024377 1.00 CYP2D6 (0.58) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL31680818 0.93 CYP2D6 (0.52) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL30865542 0.93 CYP2D6 (0.52) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL16712223 0.93 CYP2D6 (0.52) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL25417201 0.93 CYP2D6 (0.52) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL7397961 0.93 CYP2D6 (0.52) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL14778959 0.92 CYP2D6 (0.59) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL16712215 0.91 CYP2D6 (0.55) CYP2D6CYP1A2GAACYP3A4CYP2C19
SCHEMBL14779139 0.91 CYP2D6 (0.55) CYP2D6CYP1A2GAACYP3A4CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9238631-B2 Radiolabeled amino acids for diagnostic imaging PIRAMAL IMAGING SA (CH) 2016-01-19 US disclosed
US-9240614-B2 Nonaqueous electrolyte solution and electrochemical element using same UBE INDUSTRIES, LTD. (JP) 2016-01-19 US disclosed
US-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING PIRAMAL IMAGING SA (CH) 2015-01-08 US disclosed
EP-2579377-B1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES (JP) 2014-09-03 EP disclosed
EP-2579377-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME Ube Industries, Ltd. (JP) 2013-04-10 EP disclosed
US-20130071733-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND ELECTROCHEMICAL ELEMENT USING SAME UBE INDUSTRIES, LTD. (JP) 2013-03-21 US disclosed
EP-2520556-A1 Radiolabeled amino acids for diagnostic imaging Bayer Pharma Aktiengesellschaft (DE) 2012-11-07 EP disclosed
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-07-26 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 (2 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-20150011773-A1 RADIOLABELED AMINO ACIDS FOR DIAGNOSTIC IMAGING SLC1A5, SLC6A19, BCAT2 CYP2D6 4180/4885CYP1A2 4770/4885GAA 1191/4885
US-20120189546-A1 Radiolabelling Method Using Cycloalkyl Groups TMEM14C, PAICS, QPCT CYP2D6 1432/4885CYP1A2 2148/4885GAA 636/4885

“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.