SCHEMBL8600438

SCHEMBL8600438

CN1C(=O)CCc2cc(S(=O)(=O)Cl)ccc21

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 6/20 0.53
BRD4 O60885 1/20 0.48
CREBBP Q92793 1/20 0.48
PKM P14618 2/20 0.47
CYP11B1 P15538 4/20 0.47
CYP11B2 P19099 4/20 0.47
CYP1A2 P05177 2/20 0.47
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
IDO1 P14902 1/20 0.42

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
SCHEMBL489909 0.86 PKM (0.61) TRIM24PKMALDH1A1GAALMNA
SCHEMBL29290375 0.81 ATAD2 (0.48) TRIM24CYP11B1CYP11B2CYP1A2ALDH1A1
SCHEMBL8556509 0.81 ATAD2 (0.61) BRD4CYP11B1CYP11B2CYP1A2ALDH1A1
SCHEMBL29913714 0.78 TMEM97 (0.46) TRIM24BRD4CREBBPCYP11B1CYP11B2
SCHEMBL28921765 0.78 TMEM97 (0.46) TRIM24BRD4CREBBPCYP11B1CYP11B2
SCHEMBL3200431 0.78 POLB (0.43) PKMCYP1A2ALDH1A1GAAPOLB
SCHEMBL38660212 0.78 POLB (0.43) PKMCYP1A2ALDH1A1GAAPOLB
SCHEMBL31249742 0.77 TRIM24 (0.46) TRIM24BRD4CREBBPPKMCYP11B1
SCHEMBL19224682 0.77 TRIM24 (0.46) TRIM24BRD4CREBBPPKMCYP11B1
SCHEMBL11255201 0.77 SRD5A1 (0.59) BRD4CREBBPCYP11B1CYP11B2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314125-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-11-20 US disclosed
US-20100204255-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-08-12 US disclosed
US-7745629-B2 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-06-29 US disclosed
US-20080119453-A1 Bicyclic derivatives as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED 2008-05-22 US disclosed
WO-1998007742-A1 SULFONAMIDES ZENECA LIMITED (GB) 1998-02-26 WO disclosed
US-5484805-A LIPOXYGENASE INHIBITORS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1996-01-16 US disclosed
EP-0462812-B1 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LTD (GB) 1995-12-06 EP disclosed
EP-0466452-B1 Thioxo heterocycles and their pharmaceutical use ZENECA LTD (GB) 1995-09-20 EP disclosed
US-5359063-A Lipoxygenase inhibitor IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-10-25 US disclosed
US-5240941-A Enzyme inhibitors; antiinflammatory agents, antiallergens ICI PHARMA (FR) 1993-08-31 US disclosed
US-5217978-A Lipoxygenase inhibitors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0485111-A2 The use of lipoxygenase and cyclooxygenase inhibitors as synergistic agents ZENECA LIMITED (GB) 1992-05-13 EP disclosed
EP-0466452-A2 Thioxo heterocycles and their pharmaceutical use ZENECA LIMITED (GB) 1992-01-15 EP disclosed
EP-0462812-A2 Pyran derivatives as inhibitors of 5-lipoxygenase ZENECA LIMITED (GB) 1991-12-27 EP 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-20080119453-A1 Bicyclic derivatives as modulators of ion channels KCNJ2, TRPV1, KCNN3 TRIM24 4526/4885BRD4 485/4885CREBBP 2698/4885
US-20100204255-A1 BICYCLIC DERIVATIVES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNN3 TRIM24 4526/4885BRD4 485/4885CREBBP 2698/4885

“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.