SCHEMBL3298225

SCHEMBL3298225

Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccsc2nc1OCc1ccc2c(c1)N(C)CCO2

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 1/20 0.45
▸ SCN9A Q15858 2/20 0.40
▸ HSD11B1 P28845 3/20 0.40
▸ HSD17B1 P14061 1/20 0.40
▸ HSD17B2 P37059 1/20 0.40
▸ CCR4 P51679 5/20 0.39
▸ LMNA P02545 1/20 0.36
▸ THRB P10828 1/20 0.36

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
SCHEMBL3294211 0.97 TP53 (0.45) TP53SCN9AHSD11B1HSD17B1HSD17B2
SCHEMBL3294720 0.95 TP53 (0.46) TP53SCN9AHSD11B1HSD17B1HSD17B2
SCHEMBL3298219 0.92 TP53 (0.46) TP53SCN9AHSD11B1HSD17B1HSD17B2
SCHEMBL3291439 0.90 TP53 (0.48) TP53HSD11B1CCR4LMNATHRB
SCHEMBL3290878 0.90 TP53 (0.45) TP53SCN9AHSD11B1HSD17B1HSD17B2
SCHEMBL3294179 0.88 TP53 (0.44) TP53SCN9AHSD11B1HSD17B1HSD17B2
SCHEMBL3298329 0.87 TP53 (0.45) TP53SCN9AHSD11B1CCR4LMNA
SCHEMBL3298260 0.87 TP53 (0.47) TP53HSD11B1CCR4LMNATHRB
SCHEMBL3296640 0.86 TP53 (0.44) TP53SCN9AHSD11B1CCR4LMNA
SCHEMBL3299559 0.86 TP53 (0.44) TP53SCN9AHSD11B1CCR4LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2010-10-21 — — US disclosed
US-7732442-B2 Chemokine receptor antagonist and medical use thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2010-06-08 — — US disclosed
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof ONO PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
EP-1661889-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2006-05-31 — — EP 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-20100266539-A1 CHEMOKINE RECEPTOR ANTAGONIST AND MEDICAL USE THEREOF CCR5, CCR4, CCR1 TP53 2581/4885SCN9A 2485/4885HSD11B1 308/4885
US-20070254886-A1 Chemokine Receptor Antagonist and Medical Use Thereof CCR5, CCR4, CCR1 TP53 2581/4885SCN9A 2485/4885HSD11B1 308/4885

“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.

Send feedback