SCHEMBL4225946

SCHEMBL4225946

CCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 4/20 0.67
CYP1A2 P05177 4/20 0.67
CYP3A4 P08684 3/20 0.67
HPGD P15428 1/20 0.67
ALOX15 P16050 1/20 0.67
HSD17B10 Q99714 1/20 0.67
ALDH1A1 P00352 2/20 0.59
MAPT P10636 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CYP2C19 P33261 1/20 0.55
KDM4E B2RXH2 2/20 0.48
GAA P10253 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
POLB P06746 2/20 0.47
KDM4A O75164 1/20 0.47
KDM4C Q9H3R0 1/20 0.47
SIRT1 Q96EB6 1/20 0.45
SIRT3 Q9NTG7 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL24559094 0.80 HPGD (1.00) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL24559159 0.75 CYP2C9 (0.74) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL515968 0.75 CYP3A4 (0.75) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL515969 0.74 POLB (0.61) CYP3A4HSD17B10ALDH1A1POLBMEN1
SCHEMBL14693698 0.73 LMNA (0.54) CYP1A2CYP3A4HSD17B10ALDH1A1POLB
SCHEMBL24559445 0.73 MEN1 (0.57) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL515533 0.72 CYP3A4 (0.62) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL4226651 0.72 CYP3A4 (0.51) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL24667106 0.71 CYP2C9 (0.52) CYP2C9CYP1A2CYP3A4HPGDALOX15
SCHEMBL24559138 0.70 CYP1A2 (0.58) CYP2C9CYP1A2CYP3A4HPGDALOX15

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-8871751-B2 Compositions and methods relating to nuclear hormone and steroid hormone receptors including inhibitors of estrogen receptor alpha-mediated gene expression and inhibition of breast cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-28 US disclosed
US-8871751-B2 Compositions and methods relating to nuclear hormone and steroid hormone receptors including inhibitors of estrogen receptor alpha-mediated gene expression and inhibition of breast cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2014-10-28 US disclosed
US-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-11-26 US disclosed
US-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-11-26 US disclosed
US-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS 2009-11-26 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 (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-20090291972-A1 Compositions and Methods Relating to Nuclear Hormone and Steroid Hormone Receptors Including Inhibitors of Estrogen Receptor Alpha-mediated Gene Expression and Inhibition of Breast Cancer PGR, ESR1, CYP19A1 CYP2C9 1043/4885CYP1A2 137/4885CYP3A4 741/4885

“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.