Sugi Predict

Sugi Predict / Compounds / SCHEMBL10120232

SCHEMBL10120232

SCHEMBL10120232

CC(C)(C)OC(=O)N1CCN(c2ccccc2[N+](=O)[O-])C(C(=O)O)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKCQ Q04759 1/20 0.46
▸ MAPT P10636 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ GPR119 Q8TDV5 1/20 0.44
▸ MET P08581 1/20 0.44
▸ GRM5 P41594 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ SMARCA2 P51531 1/20 0.41
▸ SMARCA4 P51532 1/20 0.41
▸ PBRM1 Q86U86 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ ENPP2 Q13822 3/20 0.40
▸ MMP1 P03956 1/20 0.40
▸ MMP3 P08254 1/20 0.40
▸ MMP7 P09237 1/20 0.40
▸ MMP9 P14780 1/20 0.40
▸ USP30 Q70CQ3 1/20 0.40
▸ GPR174 Q9BXC1 1/20 0.40

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
SCHEMBL31343709 1.00 PRKCQ (0.46) PRKCQMAPTALDH1A1LMNAGPR119
SCHEMBL28974758 1.00 PRKCQ (0.46) PRKCQMAPTALDH1A1LMNAGPR119
SCHEMBL28974721 0.89 PRKCQ (0.45) PRKCQMAPTALDH1A1LMNAGPR119
SCHEMBL31013539 0.89 PRKCQ (0.45) PRKCQMAPTALDH1A1LMNAGPR119
SCHEMBL3957603 0.88 SMARCA2 (0.53) PRKCQMAPTALDH1A1LMNAGPR119
SCHEMBL31343918 0.85 SMN1; SMN2 (0.62) PRKCQMAPTALDH1A1LMNAGPR119
SCHEMBL31543842 0.85 MAPT (0.43) PRKCQMAPTALDH1A1LMNAMET
SCHEMBL28588790 0.85 MAPT (0.43) PRKCQMAPTALDH1A1LMNAMET
SCHEMBL28588787 0.85 MAPT (0.43) PRKCQMAPTALDH1A1LMNAMET
SCHEMBL1351527 0.85 MAPT (0.43) PRKCQMAPTALDH1A1LMNAGPR119

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
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 — — CN disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 — — US disclosed
US-8969573-B2 Compounds for the inhibition of cellular proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2015-03-03 — — US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 — — US disclosed
US-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2013-07-11 — — US disclosed
WO-2012006068-A2 COMPOUNDS FOR THE INHIBITION OF CELLULAR PROLIFERATION PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2012-01-12 — — 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-20130178505-A1 Compounds for the Inhibition of Cellular Proliferation MKI67, EIF2AK2, CDK2 PRKCQ 1567/4885MAPT 3316/4885ALDH1A1 3428/4885

“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.