SCHEMBL3617632

SCHEMBL3617632

Cn1nc(-c2ccc(S(=O)(=O)Nc3nc(CC(=O)O)cs3)s2)cc1C(F)(F)F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
PTGES2 Q9H7Z7 1/20 0.54
POLB P06746 3/20 0.46
ALDH1A1 P00352 4/20 0.44
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPT P10636 2/20 0.38
SCD O00767 2/20 0.38
CTPS1 P17812 1/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
PKM P14618 1/20 0.36

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
SCHEMBL7170265 0.86 GAA (0.45) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL3248035 0.83 GAA (0.59) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL3620127 0.77 PFKFB3 (0.53) GAAPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL7097084 0.76 PTGES2 (0.60) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL3473373 0.75 PTGES2 (0.61) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL3253964 0.75 GAA (0.55) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL3473539 0.74 PTGES2 (0.65) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL6697828 0.74 PTGES2 (0.60) GAAL3MBTL1PTGES2POLBALDH1A1
SCHEMBL3623789 0.74 PFKFB3 (0.58) GAAPOLBALDH1A1CYP2C9CYP2C19
SCHEMBL5132405 0.74 GAA (0.54) GAAL3MBTL1PTGES2POLBALDH1A1

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-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
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
EP-1638553-A1 NEW USE I BIOVITRUM AB (SE) 2006-03-29 EP disclosed
WO-2004112784-A1 NEW USE I BIOVITRUM AB (SE) 2004-12-29 WO 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 GAA 387/4885L3MBTL1 4372/4885PTGES2 1042/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 GAA 586/4885L3MBTL1 4127/4885PTGES2 1699/4885

“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.