SCHEMBL1102209

SCHEMBL1102209

COC(=O)c1ccc2c(c1)S(=O)(=O)CCC2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
NPSR1 Q6W5P4 2/20 0.45
ATM Q13315 2/20 0.45
PTPRC P08575 1/20 0.44
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
XDH P47989 1/20 0.42
KDM4E B2RXH2 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CASP3 P42574 1/20 0.40
PDK2 Q15119 1/20 0.40
MAPT P10636 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 3/20 0.40

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
SCHEMBL5904274 0.85 PTPRC (0.47) ALDH1A1SMN1; SMN2NPSR1ATMPTPRC
SCHEMBL8060786 0.80 CA1 (0.46) ALDH1A1SMN1; SMN2ATMCA12CA1
SCHEMBL8057299 0.80 MAPT (0.35) ALDH1A1ATMCA2KDM4EMAPT
SCHEMBL8258364 0.79 CA1 (0.45) ALDH1A1SMN1; SMN2NPSR1ATMPTPRC
SCHEMBL21028293 0.77 CA1 (0.46) ALDH1A1SMN1; SMN2ATMCA12CA1
SCHEMBL30718033 0.77 KDM4E (0.49) ALDH1A1CA12CA1CA2CA7
SCHEMBL8060729 0.77 PTPRC (0.44) ALDH1A1SMN1; SMN2NPSR1ATMPTPRC
SCHEMBL31532073 0.75 SRD5A1 (0.51) ALDH1A1SMN1; SMN2NPSR1ATMPTPRC
SCHEMBL883773 0.75 SRD5A1 (0.51) ALDH1A1SMN1; SMN2NPSR1ATMPTPRC
SCHEMBL8058163 0.75 CTSL (0.37) ALDH1A1CA2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153671-B2 Heterotetracyclic compounds as TPO mimetics IRM LLC (BM) 2012-04-10 US disclosed
EP-1910338-B1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2010-08-25 EP disclosed
US-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2009-03-19 US disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 WO disclosed
US-6028069-A Heterocyclyl-condensed benzoylguanidines, their production and use as inhibitors of the cellular Na+/H+-antiporter MERCK PATENT GESELLSCHAFT MIT BERSCHRANKER HAFTUNG (DE) 2000-02-22 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-20090075996-A1 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS MPL, TPO, THPO ALDH1A1 1941/4885SMN1; SMN2 3149/4885NPSR1 1711/4885

“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.