SCHEMBL3622069

SCHEMBL3622069

O=C(O)Cc1csc(NS(=O)(=O)c2ccc(CNC(=O)c3ccccc3)s2)n1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.46
ALDH1A1 P00352 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SCD O00767 11/20 0.45
KDM4E B2RXH2 2/20 0.45
PDE5A O76074 1/20 0.45
NPC1 O15118 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CTPS1 P17812 1/20 0.41

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
SCHEMBL3613210 0.79 ALDH1A1 (0.55) ALDH1A1CYP2C9CYP2C19NPC1MEN1
SCHEMBL5693343 0.78 CCKBR (0.48) CCKBRALDH1A1KDM4ENPC1MEN1
SCHEMBL3619962 0.77 KMT2A (0.48) ALDH1A1CYP2C9CYP2C19NPC1MEN1
SCHEMBL3619367 0.75 ALDH1A1 (0.72) ALDH1A1CYP2C9CYP2C19NPC1MEN1
SCHEMBL12334602 0.74 CCKBR (0.52) CCKBRALDH1A1MEN1KMT2A
SCHEMBL3620127 0.73 PFKFB3 (0.53) ALDH1A1CYP2C9CYP2C19NPC1MEN1
SCHEMBL7460244 0.73 CCKBR (0.50) CCKBRKDM4EMEN1KMT2A
SCHEMBL12334072 0.73 CCKBR (0.60) CCKBRALDH1A1CYP2C9CYP2C19MEN1
SCHEMBL8033818 0.73 HPGD (0.54) CCKBRALDH1A1KDM4EMEN1KMT2A
SCHEMBL27599948 0.73 KDM4E (0.78) ALDH1A1SCDKDM4EPDE5ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US claimed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US claimed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US claimed
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 WO disclosed
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 BIOVITRUM AB 2010-05-06 US disclosed
US-7618961-B2 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2009-11-17 US disclosed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 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-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 CCKBR 4475/4885ALDH1A1 55/4885CYP2C9 179/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 CCKBR 4588/4885ALDH1A1 59/4885CYP2C9 194/4885

“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.