Sugi Predict

Sugi Predict / Compounds / SCHEMBL4471909

SCHEMBL4471909

SCHEMBL4471909

CCNc1sc(C(=O)OC)c(N)c1C#N

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MELK Q14680 9/20 0.60
▸ ALDH1A1 P00352 6/20 0.60
▸ MAPT P10636 3/20 0.60
▸ GAA P10253 2/20 0.51
▸ CYP1A2 P05177 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ KLK7 P49862 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ RXFP1 Q9HBX9 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL7979698 0.76 ALDH1A1 (0.46) MELKALDH1A1MAPTGAAKDM4E
SCHEMBL3401657 0.73 GRIA4 (0.45) MELKALDH1A1MAPTGAAKDM4E
SCHEMBL3404543 0.72 GRIA2 (0.42) MELKALDH1A1MAPTGAAKDM4E
SCHEMBL4468184 0.71 ALDH1A1 (0.50) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL3401686 0.71 ALDH1A1 (0.41) MELKALDH1A1MAPTGAAKDM4E
SCHEMBL623479 0.70 L3MBTL1 (0.70) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL3135234 0.70 L3MBTL1 (0.58) ALDH1A1MAPTGAACYP1A2CYP2C19
SCHEMBL13597841 0.69 PLA2G1B (0.40) MELKALDH1A1MAPTGAAKDM4E
SCHEMBL4487149 0.69 ALDH1A1 (0.51) MELKALDH1A1MAPTGAAKDM4E
SCHEMBL3133076 0.68 L3MBTL1 (0.55) ALDH1A1MAPTGAACYP1A2KDM4E

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 802/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A MELK 3735/4885ALDH1A1 802/4885MAPT 3524/4885

“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.