SCHEMBL5386607

SCHEMBL5386607

CC(C)c1nsc(NS(=O)(=O)c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 2/20 0.41
ALDH1A1 P00352 4/20 0.39
CYP2C9 P11712 4/20 0.38
CYP1A2 P05177 3/20 0.38
KDM4E B2RXH2 1/20 0.38
ALPL P05186 3/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 3/20 0.36
CYP17A1 P05093 1/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
LMNA P02545 1/20 0.36
AAK1 Q2M2I8 1/20 0.35
RECQL P46063 1/20 0.35

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
SCHEMBL420088 0.74 CYP1A2 (0.50) ALDH1A1CYP2C9CYP1A2KDM4EMEN1
SCHEMBL5385532 0.73 KDM1A (0.49) ALDH1A1CYP2C9MEN1KMT2ACYP3A4
SCHEMBL5402218 0.72 KDM4E (0.52) SCN9AKDM4EALPLKMT2ASMN1; SMN2
SCHEMBL13485842 0.72 KDM4E (0.57) ALDH1A1CYP2C9CYP1A2KDM4EMEN1
SCHEMBL5406640 0.70 SCN9A (0.36) SCN9AMEN1KMT2A
SCHEMBL5392431 0.70 SCN9A (0.43) SCN9AMEN1KMT2ACYP3A4CYP2D6
SCHEMBL5401411 0.69 POLB (0.44) SCN9APOLB
SCHEMBL5391569 0.69 SLC40A1 (0.51) SCN9A
SCHEMBL5409796 0.69 KMT2A (0.56) SCN9AALDH1A1MEN1HPGDKMT2A
SCHEMBL5391769 0.69 MCL1 (0.42) SCN9AKDM4EKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US claimed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US claimed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US claimed
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2007-03-22 US disclosed
US-7173030-B2 Inhibitors of 11-β-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2007-02-06 US disclosed
EP-1631558-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2006-03-08 EP disclosed
US-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB 2005-01-13 US disclosed
WO-2004103980-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE I BIOVITRUM AB (SE) 2004-12-02 WO 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-20050009821-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 SCN9A 1476/4885ALDH1A1 53/4885CYP2C9 201/4885
US-20070066614-A1 Ihibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD17B11 SCN9A 1829/4885ALDH1A1 36/4885CYP2C9 571/4885

“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.