SCHEMBL21302829

SCHEMBL21302829

CC1(C)OC[C@H](O)[C@H]([C@@H]2OC(C)(C)OC2C(=O)O)O1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CA2 P00918 4/20 0.32
CA1 P00915 2/20 0.32
CA9 Q16790 1/20 0.31
HCRTR1 O43613 1/20 0.30
HCRTR2 O43614 1/20 0.30

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
SCHEMBL13997318 0.82 SUCNR1 (0.39) MAPK1NPSR1CA2
SCHEMBL5048000 0.82 SUCNR1 (0.39) MAPK1NPSR1CA2
SCHEMBL26678742 0.82 SUCNR1 (0.39) MAPK1NPSR1CA2
SCHEMBL15514446 0.82 SUCNR1 (0.39) MAPK1NPSR1CA2
SCHEMBL14007051 0.82 SUCNR1 (0.39) MAPK1NPSR1CA2
SCHEMBL2898462 0.81 CA2 (0.43) MAPK1NPSR1CA2CA1CA9
SCHEMBL16153579 0.81 CA2 (0.43) MAPK1NPSR1CA2CA1CA9
SCHEMBL10070675 0.77 CA1 (0.31) CA2CA1CA9
SCHEMBL5028037 0.77 CA2 (0.31) CA2CA1CA9
SCHEMBL21302910 0.75 CA2 (0.36) CA2CA1CA9

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-20190263815-A1 PROCESSES FOR PREPARING TPH1 INHIBITORS ALTAVANT SCIENCES GMBH (CH) 2019-08-29 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-20190263815-A1 PROCESSES FOR PREPARING TPH1 INHIBITORS TPH1, TPH2, HTR1A MAPK1 808/4885NPSR1 247/4885CA2 4160/4885

“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.