SCHEMBL1956663

SCHEMBL1956663

Cc1ccc(S(=O)(=O)N2CCCNCC2)cc1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.70
PKM P14618 3/20 0.70
HTT P42858 2/20 0.70
POLB P06746 1/20 0.70
LMNA P02545 2/20 0.63
KMT2A Q03164 4/20 0.62
MEN1 O00255 3/20 0.62
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 1/20 0.61
HSD17B10 Q99714 1/20 0.56
USP2 O75604 1/20 0.55
GAA P10253 1/20 0.54

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
SCHEMBL3111901 0.97 ALDH1A1 (0.76) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL23217199 0.97 PKM (0.74) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL3976265 0.95 PKM (0.69) ALDH1A1PKMHTTPOLBLMNA
Bromide SCHEMBL1159786 0.95 PKM (0.72) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL5955341 0.93 MAPT (0.69) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL651924 0.93 MAPT (0.69) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL9122576 0.93 MAPT (0.69) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL3977980 0.92 PKM (0.71) ALDH1A1PKMHTTPOLBLMNA
SCHEMBL3419433 0.92 MAPT (0.67) ALDH1A1PKMHTTPOLBLMNA
Hydrochloric Acid SCHEMBL3244036 0.92 ALDH1A1 (0.67) ALDH1A1PKMHTTPOLBLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104744382-B A kind of preparation method of homopiperazine 渭南畅通药化科技有限公司 2017-09-15 CN claimed
CN-104744382-A Preparation method of homopiperzine WEINAN CHANGTONG PHARMACEUTICAL CHEMICAL CO LTD 2015-07-01 CN claimed
US-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-06-02 US claimed
EP-2190820-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2010-06-02 EP claimed
WO-2009023664-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2009-02-19 WO claimed
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof Psomagen Inc. (US) 2022-04-21 US disclosed
CN-104744382-B A kind of preparation method of homopiperazine 渭南畅通药化科技有限公司 2017-09-15 CN disclosed
CN-104744382-B A kind of preparation method of homopiperazine 渭南畅通药化科技有限公司 2017-09-15 CN disclosed
CN-104744382-A Preparation method of homopiperzine WEINAN CHANGTONG PHARMACEUTICAL CHEMICAL CO LTD 2015-07-01 CN disclosed
US-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION 2011-06-02 US disclosed
EP-2190820-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2010-06-02 EP disclosed
WO-2009023664-A2 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 SCHERING CORPORATION (US) 2009-02-19 WO disclosed
WO-2007056075-A2 SIX MEMBERED HETEROAROMATIC INHIBITORS TARGETING RESISTANT KINASE MUTATIONS TARGEGEN, INC. (US) 2007-05-18 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-20110129542-A1 SUBSTITUTED AZEPINE- AND DIAZEPINE-SULFONAMIDES USEFUL TO INHIBIT 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE-1 HSD11B1, HSD17B1, HSD3B1 ALDH1A1 45/4885PKM 3613/4885HTT 4063/4885
US-20220122691-A1 HtrA Inhibitors and CagA Inhibitors and Use Thereof HTRA1, GIPR, HPN ALDH1A1 4556/4885PKM 4535/4885HTT 70/4885

“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.