SCHEMBL2917328

SCHEMBL2917328

COC(=O)CCC1c2ccc(C(=N)NO)cc2CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 9/20 0.36
NPC1 O15118 2/20 0.36
UCHL1 P09936 2/20 0.35
RAB9A P51151 1/20 0.35
USP30 Q70CQ3 1/20 0.35
HDAC6 Q9UBN7 1/20 0.34
KDM1A O60341 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 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
SCHEMBL2915023 0.85 ESR2 (0.43) GHSRNPC1RAB9AKDM1AALDH1A1
SCHEMBL13091477 0.85 GHSR (0.36) GHSRNPC1UCHL1RAB9AUSP30
SCHEMBL3083660 0.82 DRD2 (0.43) GHSRNPC1UCHL1RAB9AHDAC6
SCHEMBL13091476 0.82 GHSR (0.37) GHSRNPC1RAB9AKDM1AALDH1A1
SCHEMBL2916500 0.80 GHSR (0.41) GHSR
SCHEMBL2916895 0.78 GHSR (0.57) GHSR
SCHEMBL30428673 0.76 MTNR1B (0.43) GHSRHDAC8
SCHEMBL2909445 0.74 ATM (0.35) UCHL1USP30HDAC8POLB
SCHEMBL13769673 0.73 S1PR1 (0.45)
SCHEMBL2915924 0.72 S1PR1 (0.54)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2010-10-28 US disclosed
EP-2220077-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES Glaxo Group Limited (GB) 2010-08-25 EP disclosed
WO-2009080730-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES GLAXO GROUP LIMITED (GB) 2009-07-02 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-20100273770-A1 1, 2, 4 -OXADIAZOLE COMPOUNDS FOR THE TREATMENT OF AUTOIMMUNE DISEASES SSB, RORC, OXA1L GHSR 3186/4885NPC1 2984/4885UCHL1 4199/4885

“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.