Sugi Predict

Sugi Predict / Compounds / SCHEMBL4479816

SCHEMBL4479816

SCHEMBL4479816

CC(C)CNc1sc(C(=O)c2ccc(Oc3ccccc3)cc2)c(N)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 6/20 0.60
▸ ALDH1A1 P00352 9/20 0.58
▸ CYP1A2 P05177 2/20 0.58
▸ CYP2C19 P33261 2/20 0.58
▸ POLB P06746 1/20 0.55
▸ MAPT P10636 7/20 0.54
▸ GAA P10253 1/20 0.54
▸ KDM4E B2RXH2 3/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ KLK7 P49862 1/20 0.53
▸ LMNA P02545 6/20 0.53
▸ HTT P42858 2/20 0.53
▸ NPSR1 Q6W5P4 3/20 0.50
▸ HPGD P15428 3/20 0.50
▸ MEN1 O00255 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ ALOX12 P18054 1/20 0.47

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
SCHEMBL4486599 0.87 MELK (0.80) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4467869 0.85 MELK (0.65) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4484079 0.84 MELK (0.63) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4512080 0.81 ALDH1A1 (0.71) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4465844 0.80 ALDH1A1 (0.80) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4476030 0.78 LMNA (0.61) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4473846 0.78 ALDH1A1 (0.55) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4496937 0.76 MAPT (0.80) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4468601 0.75 MELK (0.48) MELKALDH1A1CYP1A2CYP2C19POLB
SCHEMBL4473381 0.74 ALDH1A1 (0.80) MELKALDH1A1CYP1A2CYP2C19POLB

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 10 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-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 3735/4885ALDH1A1 802/4885CYP1A2 2604/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885CYP1A2 2604/4885

“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.