SCHEMBL1380719

SCHEMBL1380719

Cc1cc(C(=O)Nc2cccc(OCc3ccc(C(F)(F)F)cc3F)c2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ RXFP1 Q9HBX9 11/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ POLB P06746 1/20 0.41
▸ OPRL1 P41146 1/20 0.41
▸ TRPV4 Q9HBA0 3/20 0.41

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
SCHEMBL1382575 0.94 KCNK3 (0.43) KCNK3KCNK9RXFP1LRRK2POLB
SCHEMBL1379923 0.94 MAPK14 (0.44) KCNK3KCNK9RXFP1LRRK2POLB
SCHEMBL1383266 0.92 POLB (0.45) KCNK3KCNK9RXFP1POLBOPRL1
SCHEMBL1381754 0.91 PTGER1 (0.44) KCNK3KCNK9RXFP1LRRK2POLB
SCHEMBL1380512 0.91 KCNK3 (0.44) KCNK3KCNK9RXFP1POLB
SCHEMBL1383210 0.90 DDR1 (0.43) KCNK3KCNK9RXFP1LRRK2OPRL1
SCHEMBL1379804 0.89 KCNK3 (0.43) KCNK3KCNK9RXFP1POLBOPRL1
SCHEMBL1383305 0.89 KCNK3 (0.44) KCNK3KCNK9RXFP1LRRK2POLB
SCHEMBL1385014 0.89 SGMS2 (0.48) KCNK3KCNK9RXFP1POLBOPRL1
SCHEMBL1380790 0.89 POLB (0.44) KCNK3KCNK9RXFP1POLBOPRL1

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
JP-4703649-B2 — — 2011-06-15 — — JP claimed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 — — US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 — — US disclosed
US-8026237-B2 For modulating activity of one or more steroid nuclear receptors and for treatment, prevention, or amelioration of symptoms of disease or disorder related to the activity of receptors; 5-benzo[b]thiophen-2-yl-1,4-dimethyl-1H-pyrrole-3-carboxylic acid (4-methanesulfonyl-phenyl)-amide EXELIXIS, INC. (US) 2011-09-27 — — US disclosed
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands EXELIXIS, INC. (US) 2011-06-16 — — US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 — — 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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 KCNK3 3073/4885KCNK9 3876/4885RXFP1 134/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 KCNK3 3491/4885KCNK9 3695/4885RXFP1 838/4885

“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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