SCHEMBL834704

SCHEMBL834704

CCOc1ccc(S(=O)(=O)Nc2ccccc2OCC(=O)Nc2cc(S(=O)(=O)Nc3ccccc3OC)ccc2N2CCOCC2)cc1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
KDM4E B2RXH2 5/20 0.65
HPGD P15428 1/20 0.65
MAPT P10636 3/20 0.62
SMN1; SMN2 Q16637 5/20 0.59
GAA P10253 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
RAB9A P51151 1/20 0.55
LMNA P02545 2/20 0.54
MDM2 Q00987 1/20 0.54
RXFP1 Q9HBX9 1/20 0.54
PAX8 Q06710 1/20 0.52
TSHR P16473 1/20 0.52
MCOLN3 Q8TDD5 1/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52

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
SCHEMBL9920141 0.89 KDM4E (0.79) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL833585 0.75 KDM4E (0.61) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL13469924 0.74 ALDH1A1 (0.66) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL834705 0.72 HTR6 (0.51) ALDH1A1KDM4ESMN1; SMN2GAALMNA
SCHEMBL17175831 0.71 ALDH1A1 (0.73) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL9920137 0.71 MAPT (0.59) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL9923329 0.70 LMNA (0.54) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL834562 0.70 LMNA (0.57) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL21834669 0.69 MAPT (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2GAA
SCHEMBL21834598 0.69 MAPT (0.64) ALDH1A1KDM4EMAPTSMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (1 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-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 ALDH1A1 4125/4885KDM4E 4123/4885HPGD 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.