Sugi Predict

Sugi Predict / Compounds / SCHEMBL4487149

SCHEMBL4487149

SCHEMBL4487149

COC(=O)c1sc(N2CCCCC2)c(C#N)c1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.51
▸ HPGD P15428 8/20 0.48
▸ KDM4E B2RXH2 7/20 0.48
▸ GAA P10253 5/20 0.48
▸ MAPT P10636 4/20 0.48
▸ POLB P06746 2/20 0.48
▸ GRIA2 P42262 1/20 0.46
▸ GRIA4 P48058 1/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ MAPK1 P28482 2/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.40
▸ MELK Q14680 1/20 0.39
▸ HSD17B10 Q99714 3/20 0.38
▸ CASP1 P29466 2/20 0.38
▸ CASP7 P55210 2/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ TSHR P16473 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
SCHEMBL3403839 0.86 PIK3CA (0.51) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL7979698 0.74 ALDH1A1 (0.46) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL17244461 0.71 GRIA2 (0.53) ALDH1A1HPGDKDM4EMAPTPOLB
SCHEMBL623010 0.71 PIK3CA (0.50) ALDH1A1HPGDKDM4EPOLBSMN1; SMN2
SCHEMBL3401657 0.71 GRIA4 (0.45) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL3399003 0.70 PIK3CA (0.49) ALDH1A1HPGDKDM4EPOLBGRIA2
SCHEMBL3401685 0.70 PIK3CA (0.49) ALDH1A1HPGDKDM4EPOLBGRIA2
SCHEMBL3404543 0.70 GRIA2 (0.42) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL4471909 0.69 MELK (0.60) ALDH1A1KDM4EGAAMAPTSMN1; SMN2
SCHEMBL3401686 0.69 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EGAAMAPT

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 802/4885HPGD 319/4885KDM4E 1483/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885HPGD 319/4885KDM4E 1483/4885

“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.