SCHEMBL692909

SCHEMBL692909

COC(=O)C1CCCN1S(=O)(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.46
POLB P06746 1/20 0.45
TP53 P04637 1/20 0.43
MMP2 P08253 1/20 0.42
ANPEP P15144 1/20 0.42
FKBP1A P62942 2/20 0.40
PEPD P12955 2/20 0.38
XPNPEP1 Q9NQW7 1/20 0.38
TSHR P16473 1/20 0.38
ALDH1A1 P00352 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KMT2A Q03164 1/20 0.38
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37

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
SCHEMBL1523018 1.00 CASP3 (0.46) CASP3POLBTP53MMP2ANPEP
SCHEMBL30149224 1.00 CASP3 (0.46) CASP3POLBTP53MMP2ANPEP
SCHEMBL8005260 0.85 MMP2 (0.54) CASP3POLBTP53MMP2ANPEP
SCHEMBL27509233 0.85 MMP2 (0.54) CASP3POLBTP53MMP2ANPEP
SCHEMBL31379277 0.85 MMP2 (0.54) CASP3POLBTP53MMP2ANPEP
SCHEMBL7338741 0.84 CASP3 (0.45) CASP3POLBTP53MMP2ANPEP
SCHEMBL9131956 0.84 CASP3 (0.45) CASP3POLBTP53MMP2ANPEP
SCHEMBL28847883 0.84 CASP3 (0.45) CASP3POLBTP53MMP2ANPEP
SCHEMBL16051479 0.81 KMT2A (0.47) POLBFKBP1ATSHRALDH1A1SMN1; SMN2
SCHEMBL16382428 0.80 MMP2 (0.53) CASP3POLBTP53MMP2ANPEP

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-2421612-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS Novartis AG (CH) 2012-02-29 EP disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
WO-2010121646-A1 HETEROCYCLIC COMPOUNDS AS MEK INHIBITORS NOVARTIS AG (CH) 2010-10-28 WO disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 US disclosed
US-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NOVARTIS AG 2009-11-05 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 (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-20090275606-A1 Heterocyclic Compounds as MEK Inhibitors NRAS, BRAF, MAP3K1 CASP3 1439/4885POLB 1121/4885TP53 144/4885

“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.