SCHEMBL6505929

SCHEMBL6505929

C[C@H](COc1ccc(F)cc1)OS(C)(=O)=O

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TSHR P16473 1/20 0.37
NPC1 O15118 1/20 0.37
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL6505934 1.00 CA12 (0.40) CA12CA1CA2CA7CA9
SCHEMBL9721831 0.84 TDP1 (0.41) CA12CA1CA2CA7CA9
SCHEMBL28903042 0.83 CYP1A2 (0.42) CA1CA2CA9
SCHEMBL4851435 0.83 LMNA (0.52) CA12CA1CA2CA7CA9
SCHEMBL10794414 0.81 ACACB (0.39) CA12CA1CA2CA7CA9
SCHEMBL28903050 0.81 ALDH1A1 (0.48) CA1CA2CA9MAOB
SCHEMBL28903049 0.81 ALDH1A1 (0.48) CA1CA2CA9MAOB
SCHEMBL9713465 0.81 LTA4H (0.47) LMNA
SCHEMBL9713456 0.81 LTA4H (0.47) LMNA
SCHEMBL10790174 0.78 LMNA (0.36) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists BIOVITRUM AB (SE) 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-20050288316-A1 Beta-carbolines as growth hormone secretagogue receptor (GHSR) antagonists GHSR, GHRHR, PRLHR CA12 3287/4885CA1 4019/4885CA2 3189/4885

“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.