Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000579

SCHEMBL3000579

SCHEMBL3000579

CC1=C(C(=O)OCc2ccccc2)C(c2cnc(N3CCOCC3)s2)n2nnnc2N1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.58
▸ LMNA P02545 6/20 0.58
▸ POLB P06746 2/20 0.58
▸ USP2 O75604 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ NPSR1 Q6W5P4 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HTT P42858 2/20 0.46
▸ MAPT P10636 2/20 0.46
▸ HSD17B10 Q99714 3/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ PKM P14618 1/20 0.42
▸ TSHR P16473 2/20 0.41

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
SCHEMBL2995701 0.91 ALDH1A1 (0.59) ALDH1A1LMNAPOLBNPSR1HPGD
SCHEMBL3250100 0.86 ALDH1A1 (0.45) ALDH1A1LMNAPOLBUSP2GAA
SCHEMBL3246754 0.83 ALDH1A1 (0.60) ALDH1A1LMNAPOLBUSP2GAA
SCHEMBL3000593 0.80 ALDH1A1 (0.57) ALDH1A1LMNAPOLBUSP2GAA
SCHEMBL3006794 0.78 ALDH1A1 (0.65) ALDH1A1LMNAPOLBNPSR1HPGD
SCHEMBL3009330 0.77 ALDH1A1 (0.63) ALDH1A1LMNAPOLBNPSR1HPGD
SCHEMBL3246764 0.75 ALDH1A1 (0.67) ALDH1A1LMNAPOLBNPSR1HPGD
SCHEMBL3243338 0.74 ALDH1A1 (0.67) ALDH1A1LMNAPOLBNPSR1HTT
SCHEMBL3007196 0.74 ALDH1A1 (0.67) ALDH1A1LMNAPOLBNPSR1HTT
SCHEMBL3006499 0.74 ALDH1A1 (0.62) ALDH1A1LMNAPOLBNPSR1HTT

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9045428-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2015-06-02 — — US disclosed
US-8716319-B2 Substituted heterocyclic compounds GILEAD SCIENCES, INC. (US) 2014-05-06 — — US disclosed
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. (US) 2013-12-05 — — US disclosed
US-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD PALO ALTO, INC. (US) 2010-08-05 — — US disclosed
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS CV THERAPEUTICS, INC. 2009-07-16 — — US disclosed
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS GILEAD SCIENCES, INC. 2009-01-08 — — US disclosed
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 — — WO 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 (4 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-20100197684-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885LMNA 738/4885POLB 3337/4885

“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.