Sugi Predict

Sugi Predict / Compounds / SCHEMBL1384199

SCHEMBL1384199

SCHEMBL1384199

Cc1c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn(CCN2CCCC2)c1-c1ccccc1-c1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR3C2 P08235 2/20 0.62
▸ AVPR2 P30518 7/20 0.42
▸ AVPR1A P37288 3/20 0.41
▸ AVPR1B P47901 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.40
▸ PTGS2 P35354 2/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TRPV4 Q9HBA0 1/20 0.40
▸ MAPT P10636 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ JAK2 O60674 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ PTK2 Q05397 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1381620 0.93 NR3C2 (0.62) NR3C2AVPR2TDP1MAPK1TRPV4
SCHEMBL1380260 0.91 NR3C2 (0.61) NR3C2TDP1MAPK1MAPTGAA
SCHEMBL1383720 0.90 NR3C2 (0.60) NR3C2TDP1MAPK1MAPTGAA
SCHEMBL2436034 0.89 NR3C2 (0.59) NR3C2AVPR2TDP1MAPTGAA
SCHEMBL1378585 0.89 NR3C2 (0.59) NR3C2AVPR2TDP1MAPK1MAPT
SCHEMBL1382944 0.88 NR3C2 (0.58) NR3C2MAPK1MAPTRAB9AALDH1A1
SCHEMBL1381755 0.87 NR3C2 (0.55) NR3C2PTGS2GAAJAK2JAK3
SCHEMBL2439983 0.87 NR3C2 (0.57) NR3C2MAPK1MAPTRAB9AALDH1A1
SCHEMBL1378486 0.87 NR3C2 (0.79) NR3C2TRPV4MAPTGAARAB9A
SCHEMBL1381035 0.87 NR3C2 (0.55) NR3C2PTGS2GAAJAK2JAK3

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 5 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-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 (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-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 NR3C2 119/4885AVPR2 60/4885AVPR1A 39/4885

“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.