SCHEMBL2531832

SCHEMBL2531832

CCCCC(C)CS(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.39
ACE2 Q9BYF1 1/20 0.36
DNM1 Q05193 2/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FDPS P14324 1/20 0.33
CA2 P00918 5/20 0.32
MAPK1 P28482 1/20 0.32
OPRM1 P35372 1/20 0.32
CA1 P00915 4/20 0.31
CA12 O43570 1/20 0.31
CA7 P43166 1/20 0.31
CA14 Q9ULX7 1/20 0.31
SLC15A1 P46059 1/20 0.31

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
SCHEMBL2236544 0.93 TP53 (0.47) TP53ACE2FDPSCA2OPRM1
SCHEMBL17319467 0.85 TSHR (0.42) TP53TSHRSMN1; SMN2CA2CA1
SCHEMBL2233250 0.85 TSHR (0.42) TP53TSHRSMN1; SMN2CA2CA1
SCHEMBL9622847 0.83 TP53 (0.40) TP53ACE2DNM1TSHRSMN1; SMN2
SCHEMBL8813015 0.81 TP53 (0.39) TP53ACE2DNM1TSHRSMN1; SMN2
SCHEMBL23181465 0.79 TP53 (0.38) TP53ACE2DNM1TSHRSMN1; SMN2
SCHEMBL5572373 0.79 TP53 (0.47) TP53ACE2FDPSCA2MAPK1
SCHEMBL5572371 0.79 TP53 (0.47) TP53ACE2FDPSCA2MAPK1
SCHEMBL27951226 0.79 TP53 (0.42) TP53ACE2CA2OPRM1CA1
SCHEMBL8812271 0.74 TP53 (0.47) TP53ACE2FDPSCA2OPRM1

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-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-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
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 (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-20110257438-A1 SULFONE COMPOUND SULT1E1, SULT1A1, STS TP53 4133/4885ACE2 755/4885DNM1 3164/4885

“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.