SCHEMBL2236544

SCHEMBL2236544

CCCCCC(C)CS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.47
ACE2 Q9BYF1 1/20 0.44
OPRM1 P35372 1/20 0.41
CA1 P00915 2/20 0.39
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH4 P08319 1/20 0.36
ADH7 P40394 1/20 0.36
FDPS P14324 4/20 0.35
CA2 P00918 1/20 0.35
GPR84 Q9NQS5 3/20 0.34
SPHK1 Q9NYA1 1/20 0.34
FFAR1 O14842 1/20 0.34
MAPT P10636 1/20 0.33
FAAH O00519 1/20 0.33
LAP3 P28838 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL2531832 0.93 TP53 (0.39) TP53ACE2OPRM1CA1FDPS
SCHEMBL2233250 0.83 TSHR (0.42) TP53CA1CA2
SCHEMBL17319467 0.83 TSHR (0.42) TP53CA1CA2
SCHEMBL27268372 0.82 ACE2 (0.48) TP53ACE2OPRM1CA1ADH1B
SCHEMBL8812271 0.82 TP53 (0.47) TP53ACE2OPRM1CA1ADH1B
SCHEMBL14929193 0.81 OPRM1 (0.44) TP53ACE2OPRM1CA1ADH1B
SCHEMBL8812277 0.80 TP53 (0.55) TP53ACE2OPRM1CA1FDPS
SCHEMBL30605502 0.80 TP53 (0.50) TP53ACE2OPRM1CA1CA2
SCHEMBL24920097 0.78 ACE2 (0.50) TP53ACE2OPRM1ADH1BADH1C
SCHEMBL8908063 0.78 TP53 (0.53) TP53ACE2CA1ADH1BADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2360143-B1 SULFONE COMPOUNDS FOR USE AS SOLVENT FOR ELECTROCHEMICAL DEVICES SUMITOMO SEIKA CHEMICALS (JP) 2017-08-16 EP disclosed
US-8466324-B2 Sulfone compound SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2013-06-18 US disclosed
US-8426208-B2 Method and apparatus for determining radiation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2013-04-23 US disclosed
US-20120295360-A1 METHOD AND APPARATUS FOR DETERMINING RADIATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-11-22 US disclosed
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-07-12 US disclosed
US-8187887-B2 Method and apparatus for determining radiation MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2012-05-29 US disclosed
US-20110257438-A1 SULFONE COMPOUND SUMITOMO SEIKA CHEMICALS CO., LTD. (JP) 2011-10-20 US disclosed
EP-2360143-A1 SULFONE COMPOUND Sumitomo Seika Chemicals CO. LTD. (JP) 2011-08-24 EP disclosed
US-20110081724-A1 METHOD AND APPARATUS FOR DETERMINING RADIATION MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2011-04-07 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-20110257438-A1 SULFONE COMPOUND SULT1E1, SULT1A1, STS TP53 4133/4885ACE2 755/4885OPRM1 2225/4885
US-20120174324-A1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE IK, H1-0, H1-5 TP53 707/4885ACE2 4346/4885OPRM1 1782/4885

“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.