SCHEMBL1882597

SCHEMBL1882597

O=C(O)c1cccc(C=C2SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CFTR P13569 16/20 1.00
MEN1 O00255 1/20 0.83
KMT2A Q03164 1/20 0.83
NLRP3 Q96P20 1/20 0.83
DUSP22 Q9NRW4 2/20 0.73
DUSP26 Q9BV47 1/20 0.67

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
SCHEMBL1882593 1.00 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL1882595 1.00 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL30292040 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL1882116 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL29577183 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL29496311 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL1326698 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL1881897 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL919042 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22
SCHEMBL1882119 0.91 CFTR (1.00) CFTRMEN1KMT2ANLRP3DUSP22

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2034844-A2 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME Napo Pharmaceuticals, Inc. (US) 2009-03-18 EP claimed
WO-2007130882-A2 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME NAPO PHARMACEUTICALS, INC. (US) 2007-11-15 WO claimed
US-20070254050-A1 Method for treatment of diarrhea-predominant irritable bowel syndrome Jaguar Health, Inc. 2007-11-01 US claimed
US-9980938-B2 Method for treatment of diarrhea-predominant irritable bowel syndrome NAPO PHARMACEUTICALS, INC. (US) 2018-05-29 US disclosed
EP-2034844-B1 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME NAPO PHARMACEUTICALS INC (US) 2017-03-22 EP disclosed
US-20150050338-A1 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME KINGDON CAPITAL MANAGEMENT, L.L.C. 2015-02-19 US disclosed
US-8846113-B2 Method for treatment of diarrhea-predominant irritable bowel syndrome NAPO PHARMACEUTICALS, INC. (US) 2014-09-30 US disclosed
US-20120189720-A1 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME Jaguar Health, Inc. 2012-07-26 US disclosed
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2011-05-05 US disclosed
EP-2034844-A2 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME Napo Pharmaceuticals, Inc. (US) 2009-03-18 EP disclosed
WO-2007130882-A2 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME NAPO PHARMACEUTICALS, INC. (US) 2007-11-15 WO disclosed
US-20070254050-A1 Method for treatment of diarrhea-predominant irritable bowel syndrome Jaguar Health, Inc. 2007-11-01 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 (4 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-20150050338-A1 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME SLC10A2, SLC6A1, SLC6A13 CFTR 103/4885MEN1 4356/4885KMT2A 3528/4885
US-20070254050-A1 Method for treatment of diarrhea-predominant irritable bowel syndrome SLC10A2, SLC6A1, SLC6A13 CFTR 103/4885MEN1 4356/4885KMT2A 3528/4885
US-20120189720-A1 METHOD FOR TREATMENT OF DIARRHEA-PREDOMINANT IRRITABLE BOWEL SYNDROME SLC10A2, SLC6A1, SLC6A13 CFTR 103/4885MEN1 4356/4885KMT2A 3528/4885
US-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 CFTR 1/4885MEN1 2136/4885KMT2A 4437/4885

“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.