SCHEMBL14831769

SCHEMBL14831769

CC(C)(C)[Si](C)(C)OCC(CO[Si](C)(C)C(C)(C)C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 3/20 0.44
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HPGD P15428 1/20 0.39
MAPT P10636 5/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
PHLPP2 Q6ZVD8 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
IDO1 P14902 2/20 0.38
NPC1 O15118 1/20 0.38
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL9969606 0.80 ALDH1A1 (0.38) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL5113756 0.79 ALDH1A1 (0.43) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL6004785 0.78 IDO1 (0.44) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL4404861 0.77 IDO1 (0.57) ALDH1A1HPGDMAPTTSHRIDO1
SCHEMBL14183585 0.77 L3MBTL1 (0.36) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL14832848 0.76 ADRB2 (0.33) ALDH1A1ADRB2ADRB1ADRB3HPGD
SCHEMBL20279744 0.76 MAPT (0.35) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL19938075 0.75 CYP3A4 (0.51) ALDH1A1KDM4EADRB2ADRB1ADRB3
SCHEMBL13866298 0.75 MMP2 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL13866315 0.75 MMP2 (0.44) ALDH1A1HPGDMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170081278-A1 Novel compounds GLAXO GROUP LIMITED (GB) 2017-03-23 US disclosed
US-9540318-B2 Sulfonamide compounds and their use in the modulation retinoid-related orphan receptor GLAXO GROUP LIMITED (GB) 2017-01-10 US disclosed
US-20150361039-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR GLAXO GROUP LIMITED (GB) 2015-12-17 US disclosed
US-9150508-B2 Sulfonamide compounds and their use in the modulation retinoid-related orphan receptor GLAXO GROUP LIMITED (GB) 2015-10-06 US disclosed
US-20140243362-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR GLAXO GROUP LIMITED (GB) 2014-08-28 US disclosed
EP-2760443-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR Glaxo Group Limited (GB) 2014-08-06 EP disclosed
WO-2013045431-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID - RELATED ORPHAN RECEPTOR GLAXO GROUP LIMITED (GB) 2013-04-04 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 (3 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-20170081278-A1 Novel compounds RORC, RORB, RORA ALDH1A1 913/4885KDM4E 1990/4885ADRB2 491/4885
US-20150361039-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR RORA, RORC, RORB ALDH1A1 940/4885KDM4E 2349/4885ADRB2 727/4885
US-20140243362-A1 SULFONAMIDE COMPOUNDS AND THEIR USE IN THE MODULATION RETINOID-RELATED ORPHAN RECEPTOR RORA, RORB, RORC ALDH1A1 686/4885KDM4E 1912/4885ADRB2 684/4885

“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.