SCHEMBL833585

SCHEMBL833585

COc1ccccc1NS(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3OC)c2)c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.61
LMNA P02545 7/20 0.61
SMN1; SMN2 Q16637 4/20 0.61
ALDH1A1 P00352 7/20 0.60
KMT2A Q03164 2/20 0.59
MEN1 O00255 1/20 0.59
HPGD P15428 1/20 0.58
MAPT P10636 7/20 0.57
HTT P42858 2/20 0.56
POLB P06746 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
RAD52 P43351 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
PKM P14618 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
SCHEMBL9923329 0.90 LMNA (0.54) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL834562 0.84 LMNA (0.57) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL9920137 0.81 MAPT (0.59) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL9920141 0.78 KDM4E (0.79) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL13532189 0.76 RAD52 (0.77) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL14075285 0.76 RAD52 (0.76) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL834704 0.75 ALDH1A1 (0.65) KDM4ELMNASMN1; SMN2ALDH1A1HPGD
SCHEMBL17779274 0.73 MAPT (0.80) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL30926943 0.71 MAPT (0.81) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A
SCHEMBL27181573 0.71 MAPT (0.81) KDM4ELMNASMN1; SMN2ALDH1A1KMT2A

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 KDM4E 4123/4885LMNA 1170/4885SMN1; SMN2 608/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 KDM4E 4123/4885LMNA 1170/4885SMN1; SMN2 608/4885

“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.