SCHEMBL2608935

SCHEMBL2608935

CC(C)S(=O)(=O)NCCc1cccc(O)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA4 P48058 3/20 0.52
SPR P35270 1/20 0.49
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
OPRM1 P35372 4/20 0.46
OPRD1 P41143 4/20 0.46
OPRK1 P41145 4/20 0.46
MGLL Q99685 1/20 0.46
CHRM2 P08172 2/20 0.45
CHRM1 P11229 2/20 0.45
CHRM3 P20309 2/20 0.45
DRD2 P14416 2/20 0.45
DRD1 P21728 2/20 0.45
TAAR1 Q96RJ0 1/20 0.45
DRD4 P21917 1/20 0.42
DRD5 P21918 1/20 0.42

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
SCHEMBL12720876 0.88 SPR (0.47) GRIA4SPRCA1CA2CA7
SCHEMBL12720945 0.83 SPR (0.52) SPRCA1CA2CA7CA9
SCHEMBL6572128 0.82 GRIA4 (0.54) GRIA4CA1CA2CA7CA9
SCHEMBL12720875 0.81 SMN1; SMN2 (0.54) SPRCA1CA2CA7CA9
SCHEMBL7166935 0.80 GRIA4 (0.66) GRIA4CA7CA9CA14TAAR1
SCHEMBL6565186 0.79 GRIA4 (0.59) GRIA4
SCHEMBL12721425 0.79 CHRM2 (0.59) GRIA4CA1CA2CA7CA9
SCHEMBL6565144 0.78 GRIA4 (0.77) GRIA4CA1CA2CA9CA14
SCHEMBL20833384 0.78 CYP4F2 (0.48) GRIA4CA1CA2CA7CA9
SCHEMBL6563315 0.78 GRIA4 (0.62) GRIA4CA1CA2CA9CA14

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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
US-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SOLACE PHARMACEUTICALS UK LTD. (GB) 2016-02-04 US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 US disclosed
US-9169234-B2 Sepiapterin reductase inhibitors for the treatment of pain CHILDREN'S MEDICAL CENTER CORPORATION (US) 2015-10-27 US disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 US disclosed
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SOLACE PHARMACEUTICALS UK LTD. (GB) 2012-12-20 US disclosed
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-04-26 US disclosed
WO-2011047156-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN HERCULES TECHNOLOGY MANAGEMENT CO V, INC. (US) 2011-04-21 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 (3 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-20160031812-A1 SEPIAPTERIN REDUCTASE INHIBITORS FOR THE TREATMENT OF PAIN SPR, QDPR, SRR GRIA4 487/4885SPR 1/4885CA1 4401/4885
US-20120322800-A1 Sepiapterin Reductase Inhibitors For The Treatment of Pain SPR, QDPR, SRR GRIA4 487/4885SPR 1/4885CA1 4401/4885
US-20120101091-A1 VIRAL POLYMERASE INHIBITORS POLR2A, POLR2H, POLR2E GRIA4 4622/4885SPR 588/4885CA1 4627/4885

“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.