SCHEMBL4131376

SCHEMBL4131376

COC(=O)CC1CN(C(=O)O)CCN1S(=O)(=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
CYP2C19 P33261 1/20 0.48
PKM P14618 2/20 0.46
RAB9A P51151 1/20 0.44
LMNA P02545 2/20 0.44
HIF1A Q16665 1/20 0.43
KMT2A Q03164 2/20 0.43
HSD11B1 P28845 1/20 0.42
POLB P06746 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL11946510 0.87 STS (0.52) ALDH1A1NPSR1HSD17B10MAPTHPGD
SCHEMBL4131189 0.83 RAB9A (0.50) ALDH1A1NPSR1HSD17B10MAPTHPGD
SCHEMBL1714743 0.79 PTGDR2 (0.53) ALDH1A1NPSR1HSD17B10MAPTHPGD
SCHEMBL16365465 0.79 CA1 (0.39) ALDH1A1GAA
SCHEMBL20141248 0.76 CACNA1G (0.39) ALDH1A1MAPTGAATSHRCYP2C19
SCHEMBL11946505 0.73 STS (0.53) ALDH1A1NPSR1HSD17B10MAPTHPGD
SCHEMBL11946509 0.72 STS (0.51) ALDH1A1NPSR1HSD17B10MAPTHPGD
SCHEMBL23390023 0.70 BRD4 (0.36) TSHRCYP2C19LMNAPOLB
SCHEMBL7315618 0.70 F10 (0.51) ALDH1A1NPSR1HSD17B10MAPTHPGD
SCHEMBL5901459 0.69 NPSR1 (0.64) ALDH1A1NPSR1HSD17B10MAPTHPGD

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
EP-2137179-B1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS MERCK SHARP & DOHME (US) 2015-09-02 EP disclosed
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 EP disclosed
US-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
EP-2137179-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2009-12-30 EP disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 US disclosed
WO-2008115381-A1 PYRIDAZINONE DERIVATIVES USEFUL AS GLUCAN SYNTHASE INHIBITORS SCHERING CORPORATION (US) 2008-09-25 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA ALDH1A1 2437/4885NPSR1 4251/4885HSD17B10 1101/4885

“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.