Sugi Predict

Sugi Predict / Compounds / SCHEMBL4291109

SCHEMBL4291109

SCHEMBL4291109

COCCOC(=O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)O)c1-c1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CNR1 P21554 3/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ CHRM3 P20309 2/20 0.35
▸ CAPN1 P07384 5/20 0.35
▸ TACR2 P21452 1/20 0.35
▸ MCOLN2 Q8IZK6 1/20 0.34
▸ MCOLN1 Q9GZU1 1/20 0.34
▸ NAAA Q02083 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.33
▸ MMP1 P03956 1/20 0.33
▸ MMP2 P08253 1/20 0.33
▸ MMP3 P08254 1/20 0.33
▸ MMP9 P14780 1/20 0.33
▸ MMP8 P22894 1/20 0.33
▸ MMP13 P45452 1/20 0.33

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
SCHEMBL4284065 0.91 MEN1 (0.38) ALDH1A1TSHRCAPN1
SCHEMBL4290038 0.90 ALDH1A1 (0.37) ALDH1A1TSHRCNR1MCOLN2MCOLN1
SCHEMBL4292738 0.89 ALDH1A1 (0.40) EPHX1ALDH1A1TSHRCNR1KDM4E
SCHEMBL4285705 0.89 ALDH1A1 (0.40) EPHX1ALDH1A1TSHRCNR1KDM4E
SCHEMBL4293883 0.83 CNR1 (0.36) ALDH1A1TSHRCNR1
SCHEMBL4296461 0.82 CYP19A1 (0.41) ALDH1A1TSHR
SCHEMBL4282224 0.82 CYP19A1 (0.41) ALDH1A1TSHR
SCHEMBL4285560 0.82 CYP19A1 (0.41) ALDH1A1TSHR
SCHEMBL4283612 0.82 CYP19A1 (0.41) ALDH1A1TSHR
SCHEMBL4296458 0.82 CYP19A1 (0.41) ALDH1A1TSHR

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 — — 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EPHX1 747/4885ALDH1A1 388/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT EPHX1 747/4885ALDH1A1 388/4885TSHR 3226/4885

“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.