SCHEMBL9977972

SCHEMBL9977972

CC(C)(C)c1nc2ccc(Cl)c(S(=O)(=O)N3CCN4CCCC4C3)c2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ NPC1 O15118 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ CCR1 P32246 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 2/20 0.37
▸ POLB P06746 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ TSHR P16473 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL5711785 0.87 ALDH1A1 (0.46) NPC1MEN1KMT2ACCR1ALDH1A1
SCHEMBL9977973 0.87 KMT2A (0.38) LMNANPC1MEN1KMT2ACCR1
SCHEMBL9978129 0.87 KMT2A (0.38) LMNANPC1MEN1KMT2ACCR1
SCHEMBL9978080 0.87 KMT2A (0.38) LMNANPC1MEN1KMT2ACCR1
SCHEMBL14243021 0.86 LMNA (0.45) LMNANPC1TDP1MEN1KMT2A
SCHEMBL17293251 0.85 NPC1 (0.31) LMNANPC1KMT2APOLB
SCHEMBL1563090 0.83 POLB (0.45) LMNAMEN1KMT2AALDH1A1MAPK1
SCHEMBL17293485 0.83 ALDH1A1 (0.40) LMNATDP1MEN1KMT2AALDH1A1
SCHEMBL9977981 0.83 POLB (0.34) LMNANPC1MEN1KMT2AALDH1A1
SCHEMBL17293646 0.83 NPC1 (0.38) LMNANPC1KMT2AALDH1A1MAPK1

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 LMNA 4805/4885NPC1 2701/4885TDP1 2690/4885

“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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