SCHEMBL5152597

SCHEMBL5152597

COc1cccc(-c2c(C(=O)O)[nH]c3ccc(N(C)S(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.45
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
GAA P10253 5/20 0.41
GFER P55789 2/20 0.41
CDK5 Q00535 2/20 0.41
CDK5R1 Q15078 2/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
PGR P06401 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGD P15428 2/20 0.40
HTT P42858 1/20 0.40
MAPT P10636 2/20 0.39
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL5151357 0.89 KDM4E (0.51) CA1CA2MEN1KMT2AGFER
SCHEMBL5152512 0.88 PTGDR2 (0.43) FBP1CA1CA2MEN1KMT2A
SCHEMBL5156828 0.84 CA1 (0.42) CA1CA2MEN1KMT2AALDH1A1
SCHEMBL5152605 0.82 MEN1 (0.51) FBP1CA1CA2MEN1KMT2A
SCHEMBL3950696 0.82 MEN1 (0.53) FBP1CA1CA2MEN1KMT2A
SCHEMBL5151594 0.80 ALDH1A1 (0.56) CA1CA2MEN1KMT2AGAA
SCHEMBL5152589 0.80 FBP1 (0.46) FBP1CA1CA2MEN1KMT2A
SCHEMBL5149891 0.78 RORC (0.47) CA1CA2MEN1KMT2AGAA
SCHEMBL4659575 0.78 NR1H3 (0.40) CA1CA2MEN1KMT2AKDM4E
SCHEMBL5156283 0.77 CA1 (0.46) CA1CA2MEN1KMT2AGAA

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-20070225284-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 US claimed
US-20070225284-A1 Inhibitors of soluble adenylate cyclase BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2007-09-27 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-20070225284-A1 Inhibitors of soluble adenylate cyclase ADCY1, ADCY2, ADCYAP1R1 FBP1 1141/4885CA1 903/4885CA2 239/4885

“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.