Sugi Predict

Sugi Predict / Compounds / SCHEMBL3000625

SCHEMBL3000625

SCHEMBL3000625

CC1(C)CC(=O)C2=C(C1)OC(N)=C(C#N)C2c1cccc(C(=O)O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 13/20 0.77
▸ TSHR P16473 3/20 0.77
▸ GRIA3 P42263 1/20 0.69
▸ GRIA4 P48058 1/20 0.69
▸ KMT2A Q03164 6/20 0.68
▸ POLB P06746 3/20 0.63
▸ MEN1 O00255 5/20 0.60
▸ MAPT P10636 2/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ USP2 O75604 3/20 0.56
▸ HPGD P15428 2/20 0.56
▸ KDM4E B2RXH2 2/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ TP53 P04637 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ PKM P14618 1/20 0.56

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
SCHEMBL6705731 0.88 ALDH1A1 (0.77) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL6705746 0.87 ALDH1A1 (1.00) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL28649237 0.87 ALDH1A1 (0.78) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL28877708 0.87 ALDH1A1 (0.78) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL28664509 0.87 ALDH1A1 (0.78) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL6707595 0.86 ALDH1A1 (0.77) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL6705768 0.84 ALDH1A1 (0.78) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL28669986 0.83 ALDH1A1 (0.72) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL28798326 0.83 ALDH1A1 (0.72) ALDH1A1TSHRGRIA3GRIA4KMT2A
SCHEMBL6705709 0.82 GRIA3 (1.00) ALDH1A1TSHRGRIA3GRIA4KMT2A

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-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 274/4885TSHR 1570/4885GRIA3 3969/4885
US-20130324525-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885TSHR 1570/4885GRIA3 3969/4885
US-20090181986-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885TSHR 1570/4885GRIA3 3969/4885
US-20090012103-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS NQO1, GPR119, GLP1R ALDH1A1 274/4885TSHR 1570/4885GRIA3 3969/4885

“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.