Sugi Predict

Sugi Predict / Compounds / SCHEMBL3222780

SCHEMBL3222780

SCHEMBL3222780

CC(C)C(=O)N(C)c1cccc(N)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.43
▸ MLYCD O95822 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.39
▸ HDAC1 Q13547 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ PBRM1 Q86U86 1/20 0.37
▸ DDX3X O00571 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CASP1 P29466 1/20 0.37
▸ RECQL P46063 1/20 0.37
▸ HTR3E A5X5Y0 1/20 0.37
▸ HTR3B O95264 1/20 0.37
▸ HTR3A P46098 1/20 0.37
▸ HTR3D Q70Z44 1/20 0.37
▸ HTR3C Q8WXA8 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ MITF O75030 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL8276434 0.81 HSD17B1 (0.53) SIGMAR1MLYCDUSP30CYP3A4LMNA
SCHEMBL15640887 0.80 SIGMAR1 (0.47) SIGMAR1ALDH1A1CLK1PBRM1DDX3X
SCHEMBL8884787 0.80 SIGMAR1 (0.50) SIGMAR1ALDH1A1CLK1PBRM1DDX3X
SCHEMBL2020210 0.80 SIGMAR1 (0.47) SIGMAR1ALDH1A1CLK1PBRM1DDX3X
SCHEMBL18124188 0.80 USP30 (0.47) MLYCDUSP30CYP3A4RECQLHTR3E
SCHEMBL28746512 0.79 SCN2A (0.48) MLYCDUSP30HDAC1HTR3EHTR3B
SCHEMBL30668615 0.78 USP30 (0.51) MLYCDUSP30ALDH1A1RECQLLMNA
SCHEMBL10962592 0.78 USP30 (0.51) MLYCDUSP30ALDH1A1RECQLLMNA
SCHEMBL1139982 0.77 MLYCD (0.54) MLYCDHDAC1LMNAPOLBKDM4E
SCHEMBL13698361 0.77 ATM (0.50) SIGMAR1CLK1PBRM1NPC1MITF

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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG SCHULZE KLAUSE 2010-02-25 — — US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 — — US disclosed
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-01-18 — — 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-20100048891-A1 METASUBSTITUTED THIAZOLIDINONES, THEIR MANUFACTURE AND USE AS A DRUG PLK2, PDXK, PLK4 SIGMAR1 3611/4885MLYCD 272/4885USP30 4153/4885
US-20070015759-A1 Metasubstituted thiazolidinones, their manufacture and use as a drug PLK4, PDXK, PLK2 SIGMAR1 3314/4885MLYCD 425/4885USP30 4051/4885

“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.