Sugi Predict

Sugi Predict / Compounds / SCHEMBL1969473

SCHEMBL1969473

SCHEMBL1969473

COC(=O)[C@](C)(NS(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(OC)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ MMP1 P03956 1/20 0.48
▸ MMP2 P08253 1/20 0.48
▸ MMP9 P14780 1/20 0.48
▸ MMP8 P22894 1/20 0.48
▸ MMP13 P45452 1/20 0.48
▸ SLC10A6 Q3KNW5 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ LMNA P02545 2/20 0.46
▸ PKM P14618 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GAA P10253 4/20 0.45
▸ HPGD P15428 2/20 0.45
▸ ALDH1A1 P00352 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ F2 P00734 1/20 0.44
▸ PRSS1 P07477 1/20 0.44

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
SCHEMBL3491636 0.91 THRB (0.48) THRBCA1CA2MMP1MMP2
SCHEMBL3491639 0.91 THRB (0.48) THRBCA1CA2MMP1MMP2
SCHEMBL3491642 0.91 THRB (0.48) THRBCA1CA2MMP1MMP2
SCHEMBL4410672 0.82 HTT (0.40) THRBMMP1MMP2MMP9MMP8
SCHEMBL1969475 0.81 LMNA (0.45) THRBCA1CA2MMP1MMP2
SCHEMBL1969478 0.81 LMNA (0.45) THRBCA1CA2MMP1MMP2
SCHEMBL3917522 0.75 AR (0.67) THRBCA1CA2MMP1MMP2
SCHEMBL4172803 0.74 CA1 (0.59) THRBCA1CA2MMP1MMP2
SCHEMBL13026218 0.73 CA1 (0.65) THRBCA1CA2MMP1MMP2
SCHEMBL6476661 0.72 LMNA (0.70) LMNAHPGDALDH1A1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 — — US disclosed
US-8168667-B2 Imidazolidine derivatives, uses therefor, preparation thereof and compositions comprising such GALAPAGOS NV (BE) 2012-05-01 — — US disclosed
EP-2026799-B1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH GALAPAGOS SAS (FR) 2011-06-22 — — EP disclosed
US-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH DART THERAPUTICS, LLC. 2010-08-19 — — US disclosed
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such SASU, GALAPAGOS (FR) 2010-03-11 — — 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-20100210699-A1 IMIDAZOLIDINE DERIVATIVES, USES THEREFOR, PREPARATION THEREOF AND COMPOSITIONS COMPRISING SUCH NR5A1, AR, HSD17B7 THRB 481/4885CA1 4370/4885CA2 3809/4885
US-20100063120-A1 Imidazolidine Derivatives, Uses Therefor, Preparation Thereof and Compositions Comprising Such NR5A1, AR, HSD17B7 THRB 486/4885CA1 4429/4885CA2 3855/4885

“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.