SCHEMBL1383038

SCHEMBL1383038

Cc1cc(C(=O)Nc2ccc(C(=O)c3cccc(F)c3)cc2)c(C)n1-c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCC9 O60706 1/20 0.48
▸ ABCC8 Q09428 1/20 0.48
▸ KCNJ11 Q14654 1/20 0.48
▸ KCNJ8 Q15842 1/20 0.48
▸ RAB9A P51151 5/20 0.46
▸ MAPT P10636 5/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ TP53 P04637 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ NR3C2 P08235 2/20 0.45
▸ MAPK1 P28482 2/20 0.44
▸ POLB P06746 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ KCNK3 O14649 3/20 0.43
▸ KCNK9 Q9NPC2 3/20 0.43
▸ NPC1 O15118 4/20 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
SCHEMBL1383349 0.92 MAPT (0.49) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL1380181 0.92 RAB9A (0.54) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL2028169 0.89 NR3C2 (0.56) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL1380324 0.88 KCNK3 (0.53) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1384131 0.87 RAB9A (0.49) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1381614 0.87 LMNA (0.54) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1381047 0.87 ALDH1A1 (0.47) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1383457 0.87 ABCC9 (0.48) ABCC9ABCC8KCNJ11KCNJ8RAB9A
SCHEMBL1378846 0.87 RAB9A (0.47) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL1380816 0.85 MAPT (0.55) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA

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 7 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-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 ABCC9 3805/4885ABCC8 2771/4885KCNJ11 3233/4885
US-20110144128-A1 Heterocyclic Carboxamide Compounds as Steroid Nuclear Receptors Ligands NCOA1, NCOA2, NCOA3 ABCC9 1837/4885ABCC8 770/4885KCNJ11 4309/4885

“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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