SCHEMBL833815

SCHEMBL833815

O=C(Nc1cccc(S(=O)(=O)c2cccc(NC(=O)c3cccs3)c2)c1)c1cccs1

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ MAPT P10636 3/20 0.65
▸ KCNK3 O14649 2/20 0.63
▸ KCNK9 Q9NPC2 2/20 0.63
▸ KMT2A Q03164 8/20 0.61
▸ MEN1 O00255 6/20 0.61
▸ NPC1 O15118 2/20 0.61
▸ RAB9A P51151 2/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ USP2 O75604 1/20 0.56
▸ GAA P10253 1/20 0.56
▸ ALOX15 P16050 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ POLB P06746 1/20 0.55
▸ HTT P42858 1/20 0.55

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
SCHEMBL23011772 0.86 KCNK3 (0.82) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL12793496 0.83 MEN1 (0.77) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL27179645 0.80 MAPT (0.77) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL30927052 0.80 MAPT (0.77) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL27179632 0.79 MAPT (0.76) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL30926895 0.79 MEN1 (0.60) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL20063247 0.79 MEN1 (0.60) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL30926707 0.79 MAPT (0.76) SMN1; SMN2MAPTKMT2AMEN1NPC1
SCHEMBL2529744 0.79 LMNA (0.69) SMN1; SMN2MAPTKCNK3KCNK9KMT2A
SCHEMBL12496157 0.79 KCNK3 (0.82) SMN1; SMN2MAPTKCNK3KCNK9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120245147-A1 INHIBITORS OF THAPSIGARGIN-INDUCED CELL DEATH NATIONAL INSTITUTES OF HEALTH - DIRECTOR DEITR 2012-09-27 — — US claimed
US-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 — — US disclosed
US-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2012-06-14 — — US disclosed
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 — — US disclosed
US-8143269-B2 Inhibitors of store operated calcium release CALCIMEDICA, INC. (US) 2012-03-27 — — US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 — — US disclosed
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2010-04-08 — — 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 (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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 SMN1; SMN2 608/4885MAPT 1453/4885KCNK3 420/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 SMN1; SMN2 608/4885MAPT 1453/4885KCNK3 420/4885
US-20120245147-A1 INHIBITORS OF THAPSIGARGIN-INDUCED CELL DEATH HSPA5, HSP90B1, ATP2A1 SMN1; SMN2 2319/4885MAPT 2245/4885KCNK3 3790/4885

“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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