SCHEMBL834562

SCHEMBL834562

COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.57
ALDH1A1 P00352 8/20 0.57
KDM4E B2RXH2 7/20 0.57
HPGD P15428 3/20 0.57
TSHR P16473 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SMN1; SMN2 Q16637 4/20 0.54
GAA P10253 1/20 0.53
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 3/20 0.48
MAPT P10636 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL9923329 0.92 LMNA (0.54) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL833585 0.84 KDM4E (0.61) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9920137 0.76 MAPT (0.59) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL9920141 0.73 KDM4E (0.79) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL834704 0.70 ALDH1A1 (0.65) LMNAALDH1A1KDM4EHPGDTSHR
SCHEMBL30926684 0.69 HTT (0.59) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL27181163 0.69 HTT (0.59) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL6351777 0.67 ALB (0.51) LMNAALDH1A1SMN1; SMN2GAAMEN1
SCHEMBL17779274 0.66 MAPT (0.80) LMNAALDH1A1KDM4EHPGDSMN1; SMN2
SCHEMBL27180830 0.66 MEN1 (0.75) LMNAALDH1A1KDM4EMEN1KMT2A

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 4125/4885KDM4E 4123/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 LMNA 1170/4885ALDH1A1 4125/4885KDM4E 4123/4885

“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.