SCHEMBL4437778

SCHEMBL4437778

CC1(C)CC(NS(=O)(=O)c2ccc(N3CCOCC3)c3nonc23)CC(C)(C)N1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 5/20 0.49
MAPT P10636 8/20 0.46
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
THRB P10828 4/20 0.46
GAA P10253 4/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 2/20 0.46
RECQL P46063 2/20 0.46
BLM P54132 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 1/20 0.39
HPGD P15428 1/20 0.34
TDP2 O95551 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL15147274 0.87 NLRP3 (0.47) NLRP3MAPTMEN1KMT2ATHRB
SCHEMBL4957112 0.81 RORA (0.43) NLRP3KMT2AGAAALDH1A1POLB
SCHEMBL5284040 0.70 KMT2A (0.59) NLRP3MAPTMEN1KMT2ATHRB
SCHEMBL5291658 0.69 NLRP3 (0.49) NLRP3MAPTMEN1KMT2ATHRB
SCHEMBL5286591 0.69 MAPT (0.55) NLRP3MAPTMEN1KMT2AALDH1A1
SCHEMBL5246860 0.68 MAPT (0.51) NLRP3MAPTMEN1KMT2ATHRB
SCHEMBL15147260 0.66 POLB (0.59) NLRP3MAPTMEN1KMT2APOLB
SCHEMBL5243508 0.65 NLRP3 (0.50) NLRP3MAPTMEN1KMT2ATHRB
SCHEMBL5243884 0.65 MAPT (1.00) NLRP3MAPTMEN1KMT2ATHRB
SCHEMBL8268839 0.62 MAPT (0.62) MAPTMEN1KMT2ATHRBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2620429-A1 Hydroxylamine compounds and methods of their use Colby Pharmaceutical Company (US) 2013-07-31 EP disclosed
EP-2125716-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE Othera Holding, Inc. (US) 2009-12-02 EP disclosed
EP-2120942-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE Othera Holding, Inc. (US) 2009-11-25 EP disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
US-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE COLBY PHARMACEUTICAL COMPANY 2008-11-13 US disclosed
WO-2008103613-A2 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE OTHERA HOLDING, INC. (US) 2008-08-28 WO disclosed
WO-2008101195-A2 DRUG RESISTANCE REVERSAL IN NEOPLASTIC DISEASE OTHERA HOLDING, INC. (US) 2008-08-21 WO disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 US disclosed
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease COLBY PHARMACEUTICAL COMPANY 2008-08-21 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-20080280890-A1 HYDROXYLAMINE COMPOUNDS AND METHODS OF THEIR USE HDGF, HMOX1, HMOX2 NLRP3 685/4885MAPT 2334/4885MEN1 2273/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 NLRP3 4490/4885MAPT 2753/4885MEN1 569/4885

“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.