SCHEMBL4484854

SCHEMBL4484854

COCCc1[nH]c2cc(OCCNC(CO)c3ccccc3NS(C)(=O)=O)ccc2c1CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 3/20 0.42
MCL1 Q07820 14/20 0.38
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ADORA1 P30542 1/20 0.35
NR3C1 P04150 1/20 0.35

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
SCHEMBL1120843 0.80 GPR17 (0.42) GPR17MCL1NR3C1
SCHEMBL1120840 0.78 ADRB3 (0.61)
SCHEMBL1120832 0.73 MCL1 (0.40) MCL1NR3C1
SCHEMBL1120831 0.71 ADRB3 (0.61)
SCHEMBL1120786 0.70 NR3C1 (0.45) GPR17MCL1NR3C1
SCHEMBL1120844 0.68 ADRB3 (0.65)
SCHEMBL1120845 0.68 ADRB3 (0.65)
SCHEMBL1120785 0.67 ADRB3 (0.63)
SCHEMBL6740388 0.66 ADRB3 (0.53)
SCHEMBL7781344 0.65 ADRB2 (0.40) KDM4E

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-7511069-B2 Indazole compounds as β3 andrenoceptor agonist ASAHI PHARMA CORPORATION (JP) 2009-03-31 US disclosed
US-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ASAHI KASEI PHARMA CORPORATION (JP) 2008-01-17 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-20080015242-A1 INDOLE COMPOUNDS AS BETA3 ANDROCEPTOR AGONIST ADRB3, ADRB2, OPRD1 GPR17 878/4885MCL1 4013/4885KDM4E 4115/4885

“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.