SCHEMBL4897212

SCHEMBL4897212

COc1nc(NC(=O)c2scc(S(=O)(=O)C(C)C)c2Cl)c(C(=O)OC(C)(C)C)n1-c1ccc(F)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
POLB P06746 1/20 0.40
MAPT P10636 3/20 0.33
MAPK1 P28482 2/20 0.33
TNF P01375 1/20 0.33
NOD2 Q9HC29 1/20 0.33
NOD1 Q9Y239 1/20 0.33
LMNA P02545 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALK Q9UM73 2/20 0.31
ABCB1 P08183 1/20 0.30

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
SCHEMBL4749922 0.91 KDM4E (0.45) KDM4EGAANPC1RAB9APOLB
SCHEMBL14020621 0.91 KDM4E (0.34) KDM4ENPC1RAB9AMAPTLMNA
SCHEMBL3441528 0.80 POLB (0.47) KDM4EGAANPC1RAB9APOLB
SCHEMBL4885880 0.78 CNR1 (0.39) KDM4ENPC1RAB9AMAPTMAPK1
SCHEMBL4894672 0.75 MAPK14 (0.34) KDM4ENPC1RAB9APOLBMAPT
SCHEMBL4786438 0.75 CNR1 (0.43) NPC1RAB9AMAPTLMNA
SCHEMBL4897158 0.71 MAPT (0.41) KDM4EMAPTLMNANPSR1
SCHEMBL4891117 0.69 ENPP2 (0.40) KDM4EMAPTABCB1
SCHEMBL4897672 0.69 FFAR2 (0.40) GAAMAPTLMNANPSR1
SCHEMBL4892358 0.68 MAPK1 (0.45) KDM4EGAANPC1RAB9APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 US claimed
US-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 ASTRAZENECA AB (SE) 2008-10-23 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-20080262064-A1 Novel Compounds For The Treatment Of GI Disorders 682 GABRB2, GABRA2, GABBR2 KDM4E 2374/4885GAA 731/4885NPC1 3564/4885

“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.