SCHEMBL1880033

SCHEMBL1880033

O=C(O)c1ccc(/C=C2/SC(=S)N(c3ccc(C(F)(F)F)cc3)C2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CFTR P13569 15/20 1.00
DUSP22 Q9NRW4 2/20 0.77
MEN1 O00255 1/20 0.77
KMT2A Q03164 1/20 0.77
NLRP3 Q96P20 1/20 0.77
BCL2 P10415 2/20 0.59
MCL1 Q07820 2/20 0.59

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
SCHEMBL1880034 1.00 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL1880031 1.00 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL8004328 0.90 CFTR (0.82) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL1880600 0.90 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL1880599 0.90 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL1880598 0.90 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL24217863 0.87 DUSP22 (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL1326698 0.87 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL1882116 0.87 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3
SCHEMBL919042 0.87 CFTR (1.00) CFTRDUSP22MEN1KMT2ANLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20110105565-A1 WATER SOLUBLE SMALL MOLECULE INHIBITORS OF THE CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, PKD1, PKD2 CFTR 1/4885DUSP22 3990/4885MEN1 2136/4885

“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.