SCHEMBL834702

SCHEMBL834702

CC(C)(C)NC(=O)C1Cc2ccccc2CN1S(=O)(=O)C(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.54
POLB P06746 1/20 0.54
CYP3A4 P08684 1/20 0.54
GLA P06280 1/20 0.50
MMP8 P22894 12/20 0.49
MMP3 P08254 6/20 0.49
HTT P42858 2/20 0.49
TSHR P16473 1/20 0.49
CYP1A2 P05177 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL9596147 0.78 POLB (0.65) CYP2C19POLBCYP3A4MMP8MMP3
SCHEMBL18711805 0.78 POLB (0.65) CYP2C19POLBCYP3A4GLA
SCHEMBL12871199 0.77 POLB (0.55) CYP2C19POLBCYP3A4GLAMMP8
SCHEMBL7270109 0.76 CYP2C19 (0.54) CYP2C19POLBCYP3A4GLAMMP8
SCHEMBL18711811 0.75 POLB (0.61) CYP2C19POLBCYP3A4
SCHEMBL14183936 0.75 HDAC8 (0.62) CYP2C19POLBCYP3A4
SCHEMBL8538945 0.74 CYP2C19 (0.52) CYP2C19POLBCYP3A4GLAMMP8
SCHEMBL7270808 0.73 CYP2C19 (0.50) CYP2C19POLBCYP3A4GLAMMP8
SCHEMBL7279514 0.72 CYP2C19 (0.47) CYP2C19POLBCYP3A4GLAMMP8
SCHEMBL10284071 0.71 SMN1; SMN2 (0.70) POLBGLAMMP8MMP3HTT

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 3 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-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

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 CYP2C19 4487/4885POLB 4760/4885CYP3A4 4321/4885
US-20100087415-A1 INHIBITORS OF STORE OPERATED CALCIUM RELEASE ORAI1, SARAF, RYR2 CYP2C19 4487/4885POLB 4760/4885CYP3A4 4321/4885

“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.