Sugi Predict

Sugi Predict / Compounds / SCHEMBL1417529

SCHEMBL1417529

SCHEMBL1417529

CC/N=C(\SC)N1CCc2c(cnn2S(=O)(=O)c2ccc(C)cc2)C1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGDS O60760 1/20 0.35
▸ KDM2B Q8NHM5 1/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ POLB P06746 2/20 0.33
▸ PKM P14618 2/20 0.33
▸ CD4 P01730 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ ESR2 Q92731 1/20 0.32

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
SCHEMBL1417531 1.00 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL7969583 0.83 NPSR1 (0.36) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL1419569 0.83 NPSR1 (0.36) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL1418084 0.80 KMT2A (0.35) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL12670982 0.78 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL1417900 0.75 ESR2 (0.45) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL7985524 0.74 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2USP2LMNAGAA
SCHEMBL12670985 0.71 KDM2B (0.38) ALDH1A1KDM2BKMT2APOLBPKM
SCHEMBL7987717 0.66 HTR6 (0.46) ALDH1A1KMT2APOLBPKMMEN1
SCHEMBL12677395 0.64 KMT2A (0.37) ALDH1A1SMN1; SMN2USP2LMNAGAA

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
EP-2298747-B1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC (JP) 2016-12-28 — — EP disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-8377923-B2 Triazole derivative or salt thereof ASTELLAS PHARMA INC. (JP) 2013-02-19 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
US-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2011-05-05 — — US disclosed
EP-2298747-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF Astellas Pharma Inc. (JP) 2011-03-23 — — EP disclosed
WO-2010001946-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF アステラス製薬株式会社 (JP) 2010-01-07 — — 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 (1 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-20110105460-A1 TRIAZOLE DERIVATIVE OR SALT THEREOF HSD11B1, HSD11B2, HSD3B1 ALDH1A1 359/4885SMN1; SMN2 3061/4885USP2 4016/4885

“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.