SCHEMBL1471880

SCHEMBL1471880

O=C(Nc1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1ccc(Oc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.80
MEN1 O00255 6/20 0.78
LMNA P02545 3/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
GAA P10253 2/20 0.70
NPC1 O15118 1/20 0.70
ALDH1A1 P00352 2/20 0.63
MAPK1 P28482 1/20 0.63
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
POLB P06746 2/20 0.62
TDP1 Q9NUW8 1/20 0.62
KDM4E B2RXH2 1/20 0.62
TP53 P04637 1/20 0.62
CACNA1B Q00975 1/20 0.62
APBA1 Q02410 1/20 0.62
PLEC Q15149 1/20 0.62

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
SCHEMBL16919774 0.90 KMT2A (0.90) KMT2AMEN1LMNAGAANPC1
SCHEMBL1472412 0.87 KMT2A (0.71) KMT2AMEN1GAANPC1ALDH1A1
SCHEMBL29483604 0.84 LMNA (1.00) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL16085419 0.82 GAA (1.00) KMT2AMEN1LMNAGAANPC1
SCHEMBL16085515 0.80 KMT2A (0.72) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL16919784 0.80 KMT2A (0.81) KMT2AMEN1GAANPC1ALDH1A1
SCHEMBL16061362 0.80 KMT2A (0.81) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL5863084 0.80 MEN1 (0.69) KMT2AMEN1LMNASMN1; SMN2NPC1
SCHEMBL12010889 0.80 ALDH1A1 (0.78) KMT2AMEN1LMNASMN1; SMN2GAA
SCHEMBL12793396 0.79 ALDH1A1 (0.86) KMT2AMEN1SMN1; SMN2ALDH1A1CYP2C9

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-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US claimed
EP-1651595-A2 UBIQUITIN LIGASE INHIBITORS Rigel Pharmaceuticals, Inc. (US) 2006-05-03 EP claimed
WO-2005007621-A2 UBIQUITIN LIGASE INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2005-01-27 WO claimed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 US claimed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-7915293-B2 Carbocyclic and heterocyclic sulfonamide derivatives, e.g., N-(2-bromo-5-(trifluoromethoxy)phenyl)-3,5-dichloro-4-(2-chloro-4-nitrophenoxy)benzenesulfonamide and 4-(2-(trifluoromethyl)phenoxy)-1-(3-trifluoromethyl)phenylsulfonyl)piperidine; treating proliferative diseases RIGEL PHARMACEUTICALS, INC. (US) 2011-03-29 US disclosed
US-20050009871-A1 Ubiquitin ligase inhibitors RIGEL PHARMACEUTICALS, INC. 2005-01-13 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 (1 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-20050009871-A1 Ubiquitin ligase inhibitors NEDD4, STUB1, UBE3A KMT2A 1014/4885MEN1 3441/4885LMNA 4028/4885

“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.