Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487980

SCHEMBL4487980

SCHEMBL4487980

CCOC(=O)C(=O)c1sc(NC2CCCC2)c(C#N)c1N

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ KDM4E B2RXH2 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ LMNA P02545 1/20 0.41
▸ GAA P10253 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MELK Q14680 5/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ ALOX15 P16050 1/20 0.38

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
SCHEMBL4468184 0.88 ALDH1A1 (0.50) ALDH1A1KDM4EMAPTRAB9AHSD17B10
SCHEMBL4461386 0.80 MELK (0.42) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL3821902 0.78 MELK (0.40) ALDH1A1MAPTRAB9AHPGDNPC1
SCHEMBL4510386 0.78 HPGD (0.39) ALDH1A1KDM4EMAPTHPGDGAA
SCHEMBL4477072 0.77 MAPK1 (0.41) ALDH1A1KDM4EMAPTRAB9AHSD17B10
SCHEMBL4473330 0.75 MELK (0.70) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL4475765 0.74 ALDH1A1 (0.65) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL4471658 0.72 MAPT (0.57) ALDH1A1KDM4EMAPTHPGDMAPK1
SCHEMBL4475791 0.72 ALDH1A1 (0.49) ALDH1A1KDM4EMAPTHPGDLMNA
SCHEMBL4476155 0.71 MELK (0.41) ALDH1A1KDM4EMAPTRAB9AHSD17B10

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 ALDH1A1 802/4885KDM4E 1483/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885KDM4E 1483/4885MAPT 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.