SCHEMBL3611585

SCHEMBL3611585

CCCc1ccc(S(=O)(=O)Nc2nc(CC(=O)N(C)CC)cs2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.55
MEN1 O00255 5/20 0.55
ALDH1A1 P00352 2/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
PKM P14618 1/20 0.54
POLB P06746 2/20 0.52
HSD17B1 P14061 1/20 0.48
HSD11B1 P28845 1/20 0.48
HSD17B2 P37059 1/20 0.48
ADRB2 P07550 1/20 0.44
ADRB1 P08588 1/20 0.44
ADRB3 P13945 1/20 0.44
AKT1 P31749 6/20 0.43
IRS1 P35568 2/20 0.42
GAB1 Q13480 2/20 0.42

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
SCHEMBL3605393 0.91 HSD17B1 (0.59) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL3616155 0.88 KMT2A (0.55) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL3610724 0.86 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL3616140 0.85 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL7093275 0.85 KMT2A (0.56) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL5831266 0.83 AKT1 (0.44) KMT2AMEN1ALDH1A1AKT1IRS1
SCHEMBL5830619 0.80 AKT1 (0.63) KMT2AMEN1ALDH1A1PKMAKT1
SCHEMBL3251447 0.79 AKT1 (0.45) AKT1IRS1GAB1
SCHEMBL3611363 0.79 HPGD (0.51) KMT2AMEN1ALDH1A1CYP2C9CYP2C19
SCHEMBL6614287 0.79 FFAR4 (0.44) KMT2AMEN1ALDH1A1CYP2C9CYP2C19

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 12 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
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
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 KMT2A 3300/4885MEN1 832/4885ALDH1A1 55/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 KMT2A 3769/4885MEN1 752/4885ALDH1A1 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.