SCHEMBL834587

SCHEMBL834587

O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 7/20 0.66
ALDH1A1 P00352 6/20 0.66
HPGD P15428 6/20 0.66
SMN1; SMN2 Q16637 5/20 0.66
MAPT P10636 8/20 0.65
KDM4E B2RXH2 8/20 0.65
MAPK1 P28482 2/20 0.65
HTT P42858 2/20 0.65
POLB P06746 1/20 0.65
CREBBP Q92793 1/20 0.65
KMT2A Q03164 4/20 0.64
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
GLA P06280 4/20 0.52
GAA P10253 3/20 0.52
MEN1 O00255 3/20 0.52
RUNX1 Q01196 3/20 0.52
CBFB Q13951 3/20 0.52
ATM Q13315 2/20 0.50
TSHR P16473 1/20 0.49

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
SCHEMBL2740062 0.82 HPGD (0.48) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL15451212 0.70 LMNA (0.49) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL24795860 0.70 NPC1 (0.56) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL2740049 0.70 MAPT (0.77) LMNAMAPTKDM4EMAPK1HTT
SCHEMBL2740045 0.69 MAPT (0.75) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL10654161 0.69 GAA (0.60) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL9231028 0.69 PGR (0.83) LMNAALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL2740071 0.69 RORC (0.59) LMNAALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL28470500 0.68 ALDH1A1 (0.59) LMNAALDH1A1HPGDMAPTKDM4E
SCHEMBL2740048 0.68 MAPT (0.72) LMNAALDH1A1HPGDMAPTKDM4E

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-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 (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-20120149673-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 LMNA 1170/4885ALDH1A1 4125/4885HPGD 1355/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 LMNA 1170/4885ALDH1A1 4125/4885HPGD 1355/4885

“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.