SCHEMBL6617119

SCHEMBL6617119

O=S(=O)(Nc1ccsc1-c1c(Cl)cc(C(F)(F)F)cc1Cl)c1cc(Br)c(Cl)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.41
MCL1 Q07820 5/20 0.40
PTGES2 Q9H7Z7 1/20 0.38
ACLY P53396 3/20 0.37
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
EGFR P00533 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
HSD11B1 P28845 1/20 0.34
FBP1 P09467 1/20 0.33
RAD51 Q06609 1/20 0.33

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
SCHEMBL6613064 0.82 PTGES2 (0.44) CCR2PTGES2ACLYCA2CA9
SCHEMBL6615166 0.81 HSD11B1 (0.54) CCR2MCL1ACLYHSD11B1
SCHEMBL6615454 0.80 MCL1 (0.38) CCR2MCL1PTGES2ACLYEGFR
SCHEMBL6612056 0.77 MCL1 (0.44) CCR2MCL1PTGES2ACLY
SCHEMBL5831691 0.76 FBP1 (0.39) MCL1PTGES2CA2CA9KMT2A
SCHEMBL2763190 0.76 KDM1A (0.45) KMT2AMEN1HSD11B1FBP1
SCHEMBL5229967 0.75 P2RX1 (0.47) MCL1PTGES2ACLYCA2CA9
SCHEMBL5229776 0.74 MEN1 (0.55) MCL1CA2KMT2AMEN1FBP1
SCHEMBL5830671 0.74 FBP1 (0.37) MCL1PTGES2EGFRKMT2AMEN1
SCHEMBL6612189 0.73 PTGES2 (0.40) CCR2PTGES2ACLYCA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 CCR2 4726/4885MCL1 3245/4885PTGES2 1300/4885

“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.