SCHEMBL1508742

SCHEMBL1508742

C[C@]1(c2ccc(Cl)nc2)NS(O)(O)N[C@H]1c1ccc(Cl)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNQ3 O43525 1/20 0.34
KCNQ2 O43526 1/20 0.34
KCNE1 P15382 1/20 0.34
KCNQ1 P51787 1/20 0.34
MDM2 Q00987 5/20 0.34
TP53 P04637 1/20 0.33
SLC6A4 P31645 3/20 0.31
SLC6A3 Q01959 2/20 0.31
SLC6A2 P23975 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31

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
SCHEMBL1508739 1.00 KCNQ3 (0.34) KCNQ3KCNQ2KCNE1KCNQ1MDM2
SCHEMBL1508741 0.88 MDM2 (0.36) KCNQ3KCNQ2KCNE1KCNQ1MDM2
SCHEMBL7921145 0.88 MDM2 (0.36) KCNQ3KCNQ2KCNE1KCNQ1MDM2
SCHEMBL1508873 0.88 KCNQ3 (0.39) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1508736 0.86 NPC1 (0.34)
SCHEMBL14793574 0.84 TP53 (0.31) MDM2TP53
SCHEMBL1508909 0.79 KCNQ3 (0.37) KCNQ3KCNQ2KCNE1KCNQ1MDM2
SCHEMBL1508874 0.76 KCNQ3 (0.39) KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL1509104 0.76 TAAR1 (0.30)
SCHEMBL1509100 0.76 TAAR1 (0.30)

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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-07-04 US disclosed
US-8404691-B2 Imidazothiazole derivatives having proline ring structure DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-03-26 US disclosed
EP-2380892-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING PROLINE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-10-26 EP disclosed
EP-2298778-A1 IMIDAZOTHIAZOLE DERIVATIVE HAVING 4,7-DIAZASPIROÝ2.5¨OCTANE RING STRUCTURE Daiichi Sankyo Company, Limited (JP) 2011-03-23 EP 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-20130172362-A1 Imidazothiazole Derivatives Having Proline Ring Structure MDM2, TP53, TP53BP1 KCNQ3 4864/4885KCNQ2 4768/4885KCNE1 4499/4885

“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.