SCHEMBL1383401

SCHEMBL1383401

Cc1ccccc1-c1c(C)c(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cn1CCO

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 3/20 0.78
PDE7A Q13946 2/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
GPR27 Q9NS67 3/20 0.40
AVPR2 P30518 2/20 0.40
PDE4A P27815 1/20 0.39
SMO Q99835 1/20 0.39
KDM4E B2RXH2 1/20 0.38
RORC P51449 1/20 0.38
USP28 Q96RU2 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS2 P35354 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL14066733 0.93 NR3C2 (0.68) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL2437620 0.90 NR3C2 (0.78) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL2443971 0.90 NR3C2 (0.75) NR3C2PDE7AGPR27AVPR2PDE4A
SCHEMBL1380377 0.89 NR3C2 (0.67) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL1381640 0.88 NR3C2 (0.61) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL1380260 0.88 NR3C2 (0.61) NR3C2PDE7ASMN1; SMN2
SCHEMBL1381714 0.88 NR3C2 (1.00) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL1384601 0.88 NR3C2 (0.61) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL29571805 0.88 NR3C2 (1.00) NR3C2PDE7AMAOAMAOBGPR27
SCHEMBL2439013 0.87 NR3C2 (0.59) NR3C2MAOAMAOBGPR27AVPR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
JP-4703649-B2 2011-06-15 JP claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-11684621-B2 Combination containing sGC stimulators and mineralocorticoid receptor antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-11684621-B2 Combination containing sGC stimulators and mineralocorticoid receptor antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2023-06-27 US disclosed
US-11331308-B2 Combination containing sGC activators and mineralocorticoid receptor antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2022-05-17 US disclosed
US-20210121461-A1 COMBINATION CONTAINING SGC STIMULATORS AND MINERALOCORTICOID RECEPTOR ANTAGONISTS Bayer Pharma AG (DE) 2021-04-29 US disclosed
US-10918639-B2 Combination containing SGC stimulators and mineralocorticoid receptor antagonists BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2021-02-16 US disclosed
US-20190262363-A1 ANTAGONIST OF MINERALOCORTICOID RECEPTOR FOR THE TREATMENT OF OSTEOARTHRITIS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2019-08-29 US disclosed
US-20190262340-A1 COMBINATION CONTAINING SGC STIMULATORS AND MINERALOCORTICOID RECEPTOR ANTAGONISTS BAYER PHARAMA AKTIENGESELLSCHAFT (DE) 2019-08-29 US disclosed
WO-2018069126-A1 COMBINATION CONTAINING SGC STIMULATORS AND MINERALOCORTICOID RECEPTOR ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-19 WO disclosed
WO-2018069148-A1 COMBINATION CONTAINING SGC ACTIVATORS AND MINERALOCORTICOID RECEPTOR ANTAGONISTS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-04-19 WO 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-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
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 (7 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 119/4885PDE7A 258/4885MAOA 686/4885
US-20190262363-A1 ANTAGONIST OF MINERALOCORTICOID RECEPTOR FOR THE TREATMENT OF OSTEOARTHRITIS MC2R, NR3C2, ADIPOR1 NR3C2 2/4885PDE7A 2800/4885MAOA 2523/4885
US-10918639-B2 Combination containing SGC stimulators and mineralocorticoid receptor antagonists NR3C2, GUCY1A1, GUCY1A2 NR3C2 1/4885PDE7A 185/4885MAOA 3488/4885
US-11331308-B2 Combination containing sGC activators and mineralocorticoid receptor antagonists NR3C2, PTGIR, MC2R NR3C2 1/4885PDE7A 202/4885MAOA 3182/4885
US-11684621-B2 Combination containing sGC stimulators and mineralocorticoid receptor antagonists NR3C2, GUCY1A1, GUCY1A2 NR3C2 1/4885PDE7A 185/4885MAOA 3488/4885
US-20210121461-A1 COMBINATION CONTAINING SGC STIMULATORS AND MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, GUCY1A1, GUCY1A2 NR3C2 1/4885PDE7A 185/4885MAOA 3488/4885
US-20190262340-A1 COMBINATION CONTAINING SGC STIMULATORS AND MINERALOCORTICOID RECEPTOR ANTAGONISTS NR3C2, GUCY1A1, GUCY1A2 NR3C2 1/4885PDE7A 185/4885MAOA 3488/4885

“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.