SCHEMBL4629803

SCHEMBL4629803

CC(C)(C)S(=O)(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.47
ALOX5AP P20292 1/20 0.45
FEN1 P39748 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
AKR1B1 P15121 1/20 0.42
EDNRA P25101 5/20 0.42
EDNRB P24530 4/20 0.42
CASP1 P29466 2/20 0.41
ALOX15 P16050 1/20 0.40
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
LMNA P02545 2/20 0.38
CA12 O43570 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
HSD11B1 P28845 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 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
SCHEMBL8716804 0.79 L3MBTL1 (0.50) ALOX5APFEN1L3MBTL1ALOX15LMNA
SCHEMBL937206 0.78 PTGS2 (0.61) PTGS2L3MBTL1AKR1B1EDNRAEDNRB
SCHEMBL29415408 0.78 PTGS2 (0.61) PTGS2L3MBTL1AKR1B1EDNRAEDNRB
SCHEMBL31463127 0.78 AKR1B1 (0.56) PTGS2AKR1B1EDNRAEDNRBCASP1
Hydrochloric Acid SCHEMBL7352630 0.77 PTGS2 (0.59) PTGS2L3MBTL1AKR1B1EDNRAEDNRB
SCHEMBL2642960 0.76 PTGS2 (0.47) PTGS2AKR1B1EDNRAEDNRBCASP1
SCHEMBL8658514 0.75 PTGS2 (0.62) PTGS2ALOX5APFEN1AKR1B1EDNRA
SCHEMBL2704655 0.75 PSIP1 (0.50) PTGS2ALOX5APFEN1AKR1B1EDNRA
SCHEMBL1968159 0.75 ALOX5AP (0.59) ALOX5APFEN1EDNRAEDNRBCASP1
SCHEMBL6616971 0.75 ALOX5AP (0.60) ALOX5APFEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8476225-B2 Antiviral compounds GILEAD SCIENCES, INC. (US) 2013-07-02 US disclosed
US-20110135604-A1 ANTIVIRAL COMPOUNDS GILEAD SCIENCES, INC. (US) 2011-06-09 US disclosed
EP-1919907-A2 HETEROCYCLIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-05-14 EP disclosed
WO-2007026959-A2 DERIVATIVES OF 4-PIPERAZIN-1-YL-4-BENZ0 [B] THIOPHENE SUITABLE FOR THE TREATMENT OF CNS DISORDERS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-03-08 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 (1 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-20110135604-A1 ANTIVIRAL COMPOUNDS MAVS, EIF2AK2, ZC3HAV1 PTGS2 3377/4885ALOX5AP 3156/4885FEN1 372/4885

“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.