SCHEMBL4965234

SCHEMBL4965234

O=C(NC1CCCCC1)C1(S(=O)(=O)C2CCCCC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
TP53 P04637 1/20 0.51
POLB P06746 1/20 0.51
EPHX1 P07099 6/20 0.44
EPHX2 P34913 3/20 0.44
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ITGB1 P05556 2/20 0.42
ITGA4 P13612 2/20 0.42
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA7 P43166 1/20 0.39
CA14 Q9ULX7 1/20 0.39
HSD11B1 P28845 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4965212 0.74 EPHX1 (0.38) EPHX1EPHX2ITGB1ITGA4CA12
SCHEMBL1621823 0.71 ITGB1 (0.43) EPHX2SMN1; SMN2ITGB1ITGA4CA12
SCHEMBL30673977 0.70 EPHX1 (0.54) ALDH1A1EPHX1EPHX2NPC1RAB9A
SCHEMBL14748226 0.70 EPHX1 (0.54) ALDH1A1EPHX1EPHX2NPC1RAB9A
SCHEMBL30633074 0.69 ITGB1 (0.45) ITGB1ITGA4CA12CA1CA7
SCHEMBL3682179 0.69 HPGD (0.47) ALDH1A1POLBSMN1; SMN2HPGDHSD11B1
SCHEMBL20748435 0.68 EPHX1 (0.52) ALDH1A1EPHX1EPHX2NPC1RAB9A
SCHEMBL20748429 0.68 EPHX1 (0.52) ALDH1A1EPHX1EPHX2NPC1RAB9A
SCHEMBL4970937 0.68 ITGB1 (0.34) KDM4EITGB1ITGA4HSD11B1KMT2A
SCHEMBL28524385 0.67 EPHX1 (0.50) ALDH1A1POLBEPHX1EPHX2NPC1

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-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 US claimed
EP-1773780-A4 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-09 EP disclosed
EP-1773780-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-04-18 EP disclosed
WO-2006012227-A2 AMIDO COMPOUNDS AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 WO disclosed
US-20050288338-A1 Amido compounds and their use as pharmaceuticals INCYTE CORPORATION 2005-12-29 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-20050288338-A1 Amido compounds and their use as pharmaceuticals HSD11B1, CYP11B1, HSD11B2 ALDH1A1 345/4885TP53 4768/4885POLB 2445/4885

“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.