SCHEMBL4131189

SCHEMBL4131189

O=C(O)N1CCN(S(=O)(=O)Cc2ccccc2)C(CO)C1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.50
LMNA P02545 2/20 0.49
TSHR P16473 2/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
HSD11B1 P28845 1/20 0.47
ALDH1A1 P00352 4/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.46
HPGD P15428 2/20 0.46
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 2/20 0.45
PKM P14618 1/20 0.45
HSD17B10 Q99714 2/20 0.45
MAPT P10636 1/20 0.44
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA9 Q16790 4/20 0.44

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
SCHEMBL11946505 0.84 STS (0.53) RAB9ALMNATSHRGAACYP2C19
SCHEMBL4131376 0.83 ALDH1A1 (0.50) RAB9ALMNATSHRGAACYP2C19
SCHEMBL1714743 0.83 PTGDR2 (0.53) RAB9ALMNATSHRGAACYP2C19
SCHEMBL16431471 0.81 CA1 (0.57) RAB9ATSHRGAACYP2C19KMT2A
SCHEMBL4830916 0.78 FKBP1A (0.54) LMNATSHRKMT2AALDH1A1SMN1; SMN2
SCHEMBL15915485 0.76 CA1 (0.44) LMNAALDH1A1PKMCA1CA2
SCHEMBL4971104 0.75 SIGMAR1 (0.54) ALDH1A1CA1CA2CA4CA9
SCHEMBL20974922 0.75 SIGMAR1 (0.54) ALDH1A1CA1CA2CA4CA9
SCHEMBL3495972 0.75 SIGMAR1 (0.54) ALDH1A1CA1CA2CA4CA9
SCHEMBL11946509 0.75 STS (0.51) RAB9ALMNATSHRGAACYP2C19

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 RAB9A 4688/4885LMNA 929/4885TSHR 4729/4885

“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.