SCHEMBL11899298

SCHEMBL11899298

O=C(OCc1cc(Br)cc(Br)c1)N1CCN(CC[S+]([O-])c2ccc3nn[nH]c3c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 13/20 0.38
KCNH2 Q12809 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
ATXN2 Q99700 6/20 0.35
TNKS O95271 1/20 0.35
PARP1 P09874 1/20 0.35
TNKS2 Q9H2K2 1/20 0.35
PARP2 Q9UGN5 1/20 0.35
LMNA P02545 2/20 0.34
KDM4E B2RXH2 1/20 0.33
HIF1A Q16665 1/20 0.33
KMT2A Q03164 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33

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
SCHEMBL11899299 1.00 ENPP2 (0.38) ENPP2KCNH2SMN1; SMN2ATXN2TNKS
SCHEMBL17901213 0.94 ENPP2 (0.36) ENPP2KCNH2SMN1; SMN2ATXN2TNKS
SCHEMBL11962572 0.94 ENPP2 (0.36) ENPP2KCNH2SMN1; SMN2ATXN2TNKS
SCHEMBL11962597 0.94 SMN1; SMN2 (0.37) ENPP2KCNH2SMN1; SMN2ATXN2TNKS
SCHEMBL170045 0.92 ENPP2 (0.46) ENPP2KCNH2ATXN2
SCHEMBL11899063 0.90 PARP1 (0.36) ENPP2KCNH2SMN1; SMN2TNKSPARP1
SCHEMBL11899062 0.90 PARP1 (0.36) ENPP2KCNH2SMN1; SMN2TNKSPARP1
SCHEMBL11899791 0.87 ENPP2 (0.41) ENPP2KCNH2ATXN2TNKSPARP1
SCHEMBL11962584 0.87 ENPP2 (0.41) ENPP2KCNH2ATXN2TNKSPARP1
SCHEMBL11899790 0.87 ENPP2 (0.41) ENPP2KCNH2ATXN2TNKSPARP1

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
EP-2488504-B1 SULFOXIDE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2016-07-06 EP disclosed
US-8552001-B2 Sulfoxide derivatives for the treatment of tumors MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8552001-B2 Sulfoxide derivatives for the treatment of tumors MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-8552001-B2 Sulfoxide derivatives for the treatment of tumors MERCK PATENT GMBH (DE) 2013-10-08 US disclosed
US-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent Gesellschaft mit beschrankter Hafung (DE) 2012-08-09 US disclosed
US-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent Gesellschaft mit beschrankter Hafung (DE) 2012-08-09 US disclosed
US-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS Merck Patent Gesellschaft mit beschrankter Hafung (DE) 2012-08-09 US disclosed
WO-2011044978-A1 SULFOXIDE DERIVATIVES FOR TREATING TUMORS MERCK PATENT GMBH (DE) 2011-04-21 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-20120202827-A1 SULFOXIDE DERIVATIVES FOR THE TREATMENT OF TUMORS TP53, MGMT, VHL ENPP2 4219/4885KCNH2 3524/4885SMN1; SMN2 236/4885

“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.