SCHEMBL1385281

SCHEMBL1385281

Cc1cc(C(=O)Nc2cccc(OCc3c(F)cccc3Cl)c2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SGMS2 Q8NHU3 1/20 0.46
▸ TRPV4 Q9HBA0 1/20 0.45
▸ RXFP1 Q9HBX9 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ KCNK3 O14649 1/20 0.42
▸ KCNK9 Q9NPC2 1/20 0.42
▸ AR P10275 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ NOTUM Q6P988 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ DHODH Q02127 4/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NR3C2 P08235 1/20 0.38

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
SCHEMBL1380273 0.95 KCNK3 (0.45) SGMS2TRPV4RXFP1POLBKCNK3
SCHEMBL1383435 0.94 KCNK3 (0.46) RXFP1POLBKCNK3KCNK9LMNA
SCHEMBL1381619 0.93 POLB (0.45) RXFP1POLBKCNK3KCNK9LMNA
SCHEMBL1378988 0.93 KCNK3 (0.43) TRPV4RXFP1POLBKCNK3KCNK9
SCHEMBL1380180 0.92 NOTUM (0.41) SGMS2TRPV4RXFP1POLBKCNK3
SCHEMBL2025687 0.90 KCNK3 (0.46) RXFP1POLBKCNK3KCNK9LMNA
SCHEMBL1382360 0.89 KCNK3 (0.44) SGMS2RXFP1KCNK3KCNK9LMNA
SCHEMBL1384431 0.89 SGMS2 (0.46) SGMS2RXFP1POLBKCNK3KCNK9
SCHEMBL1383266 0.88 POLB (0.45) SGMS2RXFP1POLBKCNK3KCNK9
SCHEMBL1380512 0.88 KCNK3 (0.44) SGMS2RXFP1POLBKCNK3KCNK9

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 SGMS2 3295/4885TRPV4 264/4885RXFP1 134/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 SGMS2 1400/4885TRPV4 837/4885RXFP1 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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