Sugi Predict

Sugi Predict / Compounds / SCHEMBL4957112

SCHEMBL4957112

SCHEMBL4957112

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORA P35398 1/20 0.43
▸ RORC P51449 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ NLRP3 Q96P20 2/20 0.42
▸ IKBKB O14920 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ PFKFB3 Q16875 1/20 0.37
▸ KMT2A Q03164 4/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GAA P10253 2/20 0.37
▸ TSHR P16473 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ ALDH1A1 P00352 4/20 0.33
▸ MCOLN3 Q8TDD5 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ CA1 P00915 1/20 0.32

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
SCHEMBL15147260 0.84 POLB (0.59) RORARORCNR1H2NLRP3IKBKB
SCHEMBL4437778 0.81 NLRP3 (0.49) NLRP3POLBKMT2AKDM4EGAA
SCHEMBL5245239 0.77 ALDH1A1 (0.54) RORARORCNR1H2NLRP3KMT2A
SCHEMBL3498898 0.72 RORA (0.52) RORARORCNR1H2NLRP3POLB
SCHEMBL5285081 0.67 RORA (0.46) RORARORCNR1H2NLRP3PFKFB3
SCHEMBL5286862 0.67 LMNA (0.43) RORARORCNR1H2POLBKMT2A
SCHEMBL15147274 0.67 NLRP3 (0.47) NLRP3IKBKBPOLBKMT2AGAA
SCHEMBL3193197 0.67 RORA (0.49) RORARORCNR1H2NLRP3PFKFB3
SCHEMBL19391630 0.67 RORA (0.46) RORARORCNR1H2NLRP3POLB
Ammonia Solution, Strong SCHEMBL591654 0.66 RORA (0.48) RORARORCNR1H2NLRP3PFKFB3

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 6 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
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
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 RORA 2259/4885RORC 2401/4885NR1H2 286/4885
US-20080200405-A1 Drug Resistance Reversal In Neoplastic Disease VHL, ABCC1, SLC11A2 RORA 786/4885RORC 904/4885NR1H2 419/4885

“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.