Sugi Predict

Sugi Predict / Compounds / SCHEMBL4472002

SCHEMBL4472002

SCHEMBL4472002

COC(=O)c1ccccc1Nc1sc(C(=O)c2cnn(-c3ccccc3)c2C)c(N)c1C#N

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ POLB P06746 1/20 0.46
▸ MAPT P10636 4/20 0.46
▸ GAA P10253 1/20 0.46
▸ LMNA P02545 2/20 0.44
▸ NPC1 O15118 7/20 0.43
▸ RAB9A P51151 7/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MELK Q14680 1/20 0.43
▸ MAPK1 P28482 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ PKM P14618 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4477402 0.88 MELK (0.58) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4476979 0.87 ALDH1A1 (0.47) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4479398 0.85 RAB9A (0.56) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4471923 0.81 ALDH1A1 (0.53) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4477733 0.80 MAPK1 (0.45) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4471685 0.79 NPC1 (0.48) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4477646 0.78 MELK (0.44) ALDH1A1POLBMAPTGAANPC1
SCHEMBL4473771 0.78 LMNA (0.50) ALDH1A1POLBMAPTGAALMNA
SCHEMBL4489027 0.77 MELK (0.49) ALDH1A1POLBMAPTGAANPC1
SCHEMBL4476670 0.77 FNTA (0.41) ALDH1A1POLBMAPTGAANPC1

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 ALDH1A1 802/4885POLB 248/4885MAPT 3524/4885
US-20060041006-A1 PDE4B inhibitors and uses therefor PDE4B, PDE7B, PDE4A ALDH1A1 802/4885POLB 248/4885MAPT 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.