Sugi Predict

Sugi Predict / Compounds / SCHEMBL4466525

SCHEMBL4466525

SCHEMBL4466525

CCC(C)Nc1sc(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3)no2)c(N)c1C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 1/20 0.43
▸ BRAF P15056 10/20 0.42
▸ PDE4A P27815 9/20 0.42
▸ PDE4B Q07343 9/20 0.42
▸ PDE4C Q08493 9/20 0.42
▸ PDE4D Q08499 9/20 0.42
▸ NPC1 O15118 3/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ MME P08473 1/20 0.37
▸ MAPT P10636 2/20 0.35
▸ TSHR P16473 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NOTUM Q6P988 1/20 0.33

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
SCHEMBL13711822 0.94 MELK (0.43) MELKBRAFPDE4APDE4BPDE4C
SCHEMBL4469876 0.90 MELK (0.45) MELKBRAFPDE4APDE4BPDE4C
SCHEMBL4484744 0.88 NPC1 (0.43) MELKBRAFPDE4APDE4BPDE4C
SCHEMBL4464972 0.88 MELK (0.42) MELKNPC1RAB9ALMNAMAPT
SCHEMBL4473013 0.86 MELK (0.47) MELKNPC1RAB9ALMNAPOLB
SCHEMBL13711814 0.82 MELK (0.40) MELKBRAFPDE4APDE4BPDE4C
SCHEMBL4497311 0.77 MELK (0.56) MELKNPC1RAB9ALMNAPOLB
SCHEMBL3853232 0.77 MELK (0.39) MELKNPC1RAB9ALMNAPOLB
SCHEMBL4476767 0.76 MELK (0.50) MELKNPC1RAB9ALMNAPOLB
SCHEMBL4481103 0.76 MELK (0.44) MELKNPC1RAB9ALMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-8470821-B2 PDE4B inhibitors and uses therefor PLEXXIKON INC. (US) 2013-06-25 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PLEXXIKON, INC. 2009-11-19 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-7585859-B2 PDE4B inhibitors and uses therefor PLEXXIKON, INC. (US) 2009-09-08 — — US disclosed
US-20060041006-A1 PDE4B inhibitors and uses therefor PLEXXIKON, INC. 2006-02-23 — — 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-20090286793-A1 PDE4B INHIBITORS AND USES THEREFOR PDE4B, PDE7B, PDE4A MELK 3735/4885BRAF 1936/4885PDE4A 3/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885BRAF 1936/4885PDE4A 3/4885

“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.