SCHEMBL17880557

SCHEMBL17880557

CC(C)(O)c1ccc(CCNc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 3/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
PPARG P37231 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 1/20 0.43
KCNQ3 O43525 2/20 0.42
KCNQ2 O43526 2/20 0.42
AURKA O14965 1/20 0.42
NTRK1 P04629 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNE1 P15382 1/20 0.42
KCNQ1 P51787 1/20 0.42
MAOB P27338 3/20 0.41
MAOA P21397 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PLA2G1B P04054 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL17880507 0.94 PTGDR2 (0.47) PTGDR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL17880500 0.91 ALDH1A1 (0.48) PTGDR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL17880554 0.90 NPC1 (0.49) PTGDR2NPC1RAB9AL3MBTL1KCNQ3
SCHEMBL17880533 0.89 MEN1 (0.49) PTGDR2NPC1RAB9AL3MBTL1ALDH1A1
SCHEMBL17880532 0.89 MEN1 (0.53) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880501 0.87 SMN1; SMN2 (0.47) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880525 0.87 NPC1 (0.57) NPC1RAB9AL3MBTL1KCNQ3KCNQ2
SCHEMBL17880505 0.85 ESRRG (0.47) NPC1RAB9AALDH1A1KCNQ3KCNQ2
SCHEMBL17803518 0.85 PTGDR2 (0.46) PTGDR2NPC1RAB9APPARGL3MBTL1
SCHEMBL19380103 0.85 PTGDR2 (0.46) PTGDR2NPC1RAB9APPARGL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment NOVIRA THERAPEUTICS, INC. 2018-02-22 US disclosed
US-9765050-B2 Pyridyl reverse sulfonamides for HBV treatment NOVIRA THERAPEUTICS, INC. (US) 2017-09-19 US disclosed
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT NOVIRA THERAPEUTICS, INC. 2016-06-30 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 (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-20180051000-A1 Pyridyl Reverse Sulfonamides For HBV Treatment HAVCR2, HCCS, NR1H4 PTGDR2 2845/4885NPC1 798/4885RAB9A 2638/4885
US-20160185748-A1 PYRIDYL REVERSE SULFONAMIDES FOR HBV TREATMENT HAVCR2, HCCS, NR1H4 PTGDR2 2845/4885NPC1 798/4885RAB9A 2638/4885

“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.