SCHEMBL834715

SCHEMBL834715

COc1ccc(C(=O)N(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TP53 P04637 7/20 1.00
LMNA P02545 3/20 1.00
MAPT P10636 6/20 0.71
ALDH1A1 P00352 2/20 0.68
KMT2A Q03164 2/20 0.68
SMN1; SMN2 Q16637 1/20 0.67
HSP90AA1 P07900 4/20 0.66
KDM4E B2RXH2 1/20 0.65
THRB P10828 2/20 0.63

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
SCHEMBL25347981 0.93 TP53 (0.88) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL25349392 0.93 TP53 (0.88) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL18545997 0.87 HSP90AA1 (0.79) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL9478142 0.84 TP53 (0.73) TP53LMNAMAPTALDH1A1HSP90AA1
SCHEMBL25348940 0.82 TP53 (0.74) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL25349918 0.82 TP53 (0.69) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL25351183 0.82 TP53 (0.69) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL25349011 0.80 TP53 (0.67) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL25349325 0.80 TP53 (0.75) TP53LMNAMAPTALDH1A1KMT2A
SCHEMBL25349817 0.80 TP53 (0.69) TP53LMNAMAPTALDH1A1KMT2A

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 TP53 3849/4885LMNA 1170/4885MAPT 1453/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 TP53 3849/4885LMNA 1170/4885MAPT 1453/4885

“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.