SCHEMBL3624921

SCHEMBL3624921

O=C(Cc1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1)NCC1CCCO1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.54
CTPS1 P17812 1/20 0.51
ALDH1A1 P00352 3/20 0.50
HTT P42858 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 3/20 0.48
HSD17B10 Q99714 3/20 0.48
POLB P06746 1/20 0.48
LMNA P02545 2/20 0.47
MEN1 O00255 1/20 0.47
GAA P10253 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 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
SCHEMBL3620828 0.76 KMT2A (0.71) KMT2ACTPS1ALDH1A1POLBMEN1
SCHEMBL3612854 0.75 ALDH1A1 (0.56) KMT2ACTPS1ALDH1A1POLBMEN1
SCHEMBL3612417 0.75 KMT2A (0.56) KMT2ACTPS1ALDH1A1HTTSMN1; SMN2
SCHEMBL3613532 0.74 CTPS1 (0.64) KMT2ACTPS1ALDH1A1MEN1
SCHEMBL3616923 0.72 KMT2A (0.60) KMT2ACTPS1ALDH1A1POLBMEN1
SCHEMBL3619549 0.71 HSD11B1 (0.70) KMT2ACTPS1HTTPOLBLMNA
SCHEMBL3610795 0.71 KMT2A (0.66) KMT2ACTPS1ALDH1A1HTTSMN1; SMN2
SCHEMBL3620152 0.70 KMT2A (1.00) KMT2AALDH1A1SMN1; SMN2HPGDPOLB
SCHEMBL3606487 0.70 KMT2A (0.63) KMT2AALDH1A1SMN1; SMN2LMNAMEN1
SCHEMBL22307416 0.67 ALPL (0.77) KMT2AALDH1A1HTTSMN1; SMN2HPGD

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
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 3300/4885CTPS1 819/4885ALDH1A1 55/4885
US-20100113435-A1 INHIBITORS OF 11-BETA-HYDROXY STERIOD DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD3B1 KMT2A 3769/4885CTPS1 792/4885ALDH1A1 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.