SCHEMBL3610106

SCHEMBL3610106

COc1ccc(Br)cc1S(=O)(=O)Nc1nc(CC(=O)O)cs1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
CPT1A P50416 2/20 0.49
CPT1B Q92523 2/20 0.49
ALPL P05186 4/20 0.48
KMT2A Q03164 2/20 0.48
GLA P06280 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
WDR5 P61964 3/20 0.47
PKM P14618 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
BRD4 O60885 1/20 0.47
EDNRB P24530 2/20 0.46
EDNRA P25101 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3615546 0.88 L3MBTL1 (0.60) KDM4EGAAALDH1A1HPGDCPT1A
SCHEMBL27630279 0.88 PKM (0.63) KDM4EGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL7140715 0.85 KMT2A (0.46) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL3608648 0.84 KMT2A (0.49) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL3614048 0.82 GAA (0.52) KDM4EGAAALDH1A1HPGDCPT1A
SCHEMBL3622234 0.82 KMT2A (0.45) KDM4EGAAALDH1A1KMT2ASMN1; SMN2
SCHEMBL3614017 0.82 ALDH1A1 (0.58) KDM4EGAAALDH1A1HPGDKMT2A
SCHEMBL5692691 0.79 ALDH1A1 (0.58) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL5692890 0.77 ALDH1A1 (0.56) GAAALDH1A1KMT2AMEN1POLB
SCHEMBL27630144 0.77 PKM (0.73) ALDH1A1KMT2AMEN1POLBPKM

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 15 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
EP-1638553-A1 NEW USE I BIOVITRUM AB (SE) 2006-03-29 EP claimed
WO-2004112784-A1 NEW USE I BIOVITRUM AB (SE) 2004-12-29 WO claimed
US-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 BIOVITRUM AB (SE) 2004-11-11 US claimed
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP claimed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 WO 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
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
EP-1283831-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2003-02-19 EP disclosed
WO-2001090090-A1 INHIBITORS OF 11-BETA-HYDROXY STEROID DEHYDROGENASE TYPE 1 BIOVITRUM AB (SE) 2001-11-29 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-20040224996-A1 Inhibitors of 11-beta-hydroxy steroid dehydrogenase type 1 HSD11B1, HSD17B1, HSD11B2 KDM4E 3184/4885GAA 387/4885ALDH1A1 55/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 KDM4E 2877/4885GAA 586/4885ALDH1A1 59/4885

“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.