SCHEMBL6612903

SCHEMBL6612903

O=S(=O)(Nc1cscc1-c1ccccc1Cl)c1sc(Cl)cc1Br

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 1/20 0.43
CCR4 P51679 1/20 0.42
MCL1 Q07820 1/20 0.39
KDM1A O60341 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA5A P35218 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA5B Q9Y2D0 1/20 0.35
PTK2B Q14289 2/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
PTGES2 Q9H7Z7 4/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34

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
SCHEMBL6612818 0.80 CCKBR (0.43) CCKBRCCR4MCL1KDM1ACA2
SCHEMBL5832138 0.79 CA1 (0.49) CCKBRCCR4KDM1ACA12CA1
SCHEMBL2763191 0.78 KDM1A (0.61) KDM1AKDM4EPOLBSMN1; SMN2
SCHEMBL6614920 0.77 PTGES2 (0.56) CCR4KDM1APTGES2POLBCASP6
SCHEMBL6694171 0.76 SLC40A1 (0.48) MCL1KDM1APTK2BKDM4ETSHR
SCHEMBL5830803 0.76 CCR4 (0.42) CCKBRCCR4KDM1ACA12CA1
SCHEMBL6609567 0.73 PTGES2 (0.46) CCR4MCL1KDM4EPTGES2POLB
SCHEMBL6612943 0.73 MEN1 (0.53) KDM1ACA12CA2CA9TSHR
SCHEMBL6616015 0.72 SLC40A1 (0.53) CCR4PTGES2POLBCASP6CTDSP1
SCHEMBL6611861 0.71 PFKFB3 (0.43) KDM1ATSHRSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1633428-A 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors BIOVITRUM AB (SE) 2005-06-29 CN claimed
WO-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO claimed
EP-1461333-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP claimed
US-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US claimed
WO-2003044009-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 WO claimed
WO-2019075394-A1 COMPOUNDS FOR TREATMENT OF EMOTIONAL/PSYCHOLOGICAL SYMPTOMS IN FRAGILE X SYNDROME VANDERKLISH PETER (US) 2019-04-18 WO disclosed
CN-1633428-A 11-beta-hydroxysteroid dehydrogenase type 1 inhibitors BIOVITRUM AB (SE) 2005-06-29 CN disclosed
WO-2004112779-A1 NEW USE VII BIOVITRUM AB (SE) 2004-12-29 WO disclosed
EP-1461333-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2004-09-29 EP disclosed
US-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2003-07-10 US disclosed
WO-2003044009-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-05-30 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 (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-20030130279-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD3B1 CCKBR 4387/4885CCR4 4599/4885MCL1 3245/4885

“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.