SCHEMBL9978080

SCHEMBL9978080

CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)N3CCN4CCOC[C@H]4C3)c2o1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ GAA P10253 1/20 0.31
▸ HSD11B1 P28845 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ TLR9 Q9NR96 1/20 0.31
▸ CCR1 P32246 2/20 0.30
▸ POLB P06746 1/20 0.30
▸ CASP3 P42574 1/20 0.30
▸ NAMPT P43490 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL9977973 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9978129 1.00 KMT2A (0.38) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL9977972 0.87 LMNA (0.46) KMT2AMEN1ALDH1A1NPSR1SMN1; SMN2
SCHEMBL14242458 0.86 KMT2A (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14242753 0.86 KMT2A (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL14241911 0.86 KMT2A (0.36) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL17293536 0.84 ALDH1A1 (0.44) KMT2AMEN1ALDH1A1KDM4EMAPT
SCHEMBL17293251 0.83 NPC1 (0.31) KMT2ALMNANPC1TLR9POLB
SCHEMBL1563090 0.82 POLB (0.45) KMT2AMEN1ALDH1A1MAPTNPSR1
SCHEMBL5711785 0.80 ALDH1A1 (0.46) KMT2AMEN1ALDH1A1KDM4EGAA

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-2651932-B1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2015-11-25 — — EP disclosed
US-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 — — US disclosed
US-8648070-B2 Bicyclic ring system substituted sulfonamide functionalised phenols as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-11 — — US disclosed
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 — — US disclosed
US-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-13 — — US disclosed
WO-2012080457-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-21 — — 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 (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-20120316159-A1 BICYCLIC RING SYSTEM SUBSTITUTED SULFONAMIDE FUNCTIONALISED PHENOLS AS MEDICAMENTS CXCR2, CCR2, SULT2A1 KMT2A 2591/4885MEN1 4806/4885ALDH1A1 1027/4885

“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.

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