SCHEMBL6979248

SCHEMBL6979248

C/C=N/OCCN1CCS(=O)(=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31

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
SCHEMBL9975276 0.90 HPGD (0.39) HPGDMEN1KMT2A
SCHEMBL13204961 0.82 KMT2A (0.35) MEN1KMT2ANPC1ALDH1A1
SCHEMBL13204866 0.82 KMT2A (0.35) MEN1KMT2ANPC1ALDH1A1
SCHEMBL13205201 0.82 KMT2A (0.35) MEN1KMT2ANPC1ALDH1A1
SCHEMBL6958653 0.82 HPGD (0.34) HPGDMEN1KMT2A
SCHEMBL6979241 0.80 TDP1 (0.36)
SCHEMBL15865996 0.78 HRH3 (0.38)
SCHEMBL6978047 0.77 SIGMAR1 (0.39) MEN1KMT2A
SCHEMBL6975379 0.76 HPGD (0.33) HPGDMEN1KMT2ANPC1ALDH1A1
SCHEMBL6978377 0.75 HDAC3 (0.46) NPC1ALDH1A1HDAC3HDAC4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349857-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2013-01-08 US disclosed
US-8202879-B2 Quinazoline derivatives having tyrosine kinase inhibitory activity SHIONOGI & CO., LTD. (JP) 2012-06-19 US disclosed
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-17 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-7781469-B2 Arylacetate derivatives having isoxazole skeleton SHIONOGI & CO., LTD. (JP) 2010-08-24 US disclosed
US-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity SHIONOGI & CO., LTD. (JP) 2009-06-04 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 US disclosed
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton SHIONOGI & CO., LTD. (JP) 2009-03-05 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 (3 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-20090143414-A1 Quinazoline Derivatives Having Tyrosine Kinase Inhibitory Activity ERBB2, EGFR, ABL1 HPGD 3062/4885MEN1 3302/4885KMT2A 1949/4885
US-20120123114-A1 QUINAZOLINE DERIVATIVES HAVING TYROSINE KINASE INHIBITORY ACTIVITY ERBB2, EGFR, ABL1 HPGD 3062/4885MEN1 3302/4885KMT2A 1949/4885
US-20090062531-A1 Arylacetate Derivatives Having Isoxazole Skeleton CYP2A7, CYP4X1, HAX1 HPGD 3687/4885MEN1 3857/4885KMT2A 1483/4885

“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.