Sugi Predict

Sugi Predict / Compounds / SCHEMBL2995854

SCHEMBL2995854

SCHEMBL2995854

CC1=C(C(=O)OCc2ccccc2)C(c2ccc(C(=O)O)cc2)n2nnnc2N1

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 11/20 0.73
▸ LMNA P02545 6/20 0.73
▸ POLB P06746 2/20 0.73
▸ TSHR P16473 1/20 0.54
▸ NPSR1 Q6W5P4 4/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ GAA P10253 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ MAPT P10636 3/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ HTT P42858 2/20 0.50
▸ USP2 O75604 1/20 0.50
▸ GLA P06280 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ TP53 P04637 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL2995867 0.92 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3001209 0.89 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3001424 0.89 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2995555 0.89 ALDH1A1 (0.71) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3002840 0.88 ALDH1A1 (0.63) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3004228 0.88 ALDH1A1 (0.70) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL3004230 0.88 ALDH1A1 (0.70) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL4259882 0.88 ALDH1A1 (0.70) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL4260592 0.87 ALDH1A1 (0.58) ALDH1A1LMNAPOLBTSHRNPSR1
SCHEMBL2993751 0.87 ALDH1A1 (0.69) ALDH1A1LMNAPOLBTSHRNPSR1

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 6 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

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.