SCHEMBL18811696

SCHEMBL18811696

Cc1cc(S(=O)(=O)C2CC2)nn1C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 3/20 0.40
▸ BAZ2B Q9UIF8 1/20 0.40
▸ GCK P35557 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.33
▸ LMNA P02545 3/20 0.33
▸ NOTUM Q6P988 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ NR2E1 Q9Y466 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ FPR2 P25090 1/20 0.31
▸ PROKR1 Q8TCW9 1/20 0.31
▸ DRD2 P14416 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ NMT1 P30419 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30

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
SCHEMBL17173639 0.80 RIPK1 (0.39) RIPK1KDM4E
SCHEMBL17196422 0.80 RIPK1 (0.39) RIPK1DRD2KCNH2
SCHEMBL16200293 0.74 BAZ2B (0.41) BAZ2BALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL18029742 0.72 BAZ2B (0.40) BAZ2BALDH1A1LMNAHTTSMN1; SMN2
SCHEMBL14242844 0.67 FEN1 (0.38) RIPK1
SCHEMBL14706970 0.67 NOS3 (0.36) RIPK1
SCHEMBL12506496 0.64 HSD11B1 (0.37) BAZ2BALDH1A1LMNASMN1; SMN2
SCHEMBL19145540 0.64 BAZ2B (0.47) RIPK1BAZ2BALDH1A1LMNAHTT
SCHEMBL12186152 0.63 GPR119 (0.40) GCKALDH1A1MAPTKDM4E
SCHEMBL12050002 0.62 BAZ2B (0.63) RIPK1BAZ2BALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES Grünenthal GmbH (DE) 2017-05-04 — — 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-20170121314-A1 HETEROARYL SUBSTITUTED HETEROCYCLYL SULFONES TRPV1, CACNA1B, CACNA1C RIPK1 3252/4885BAZ2B 2551/4885GCK 2788/4885

“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.

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