SCHEMBL16639433

SCHEMBL16639433

CCNC(=O)C1OC(C)(C)O[C@H]1C

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PGD P52209 1/20 0.36
CYP2C9 P11712 1/20 0.33
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
GAA P10253 1/20 0.31
CA2 P00918 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
SCHEMBL15325113 1.00 MAPK1 (0.40) MAPK1NPSR1PGDCYP2C9ADORA3
SCHEMBL15326412 0.87 MAPK1 (0.37) MAPK1NPSR1PGDCA2
SCHEMBL20091180 0.85 CA2 (0.41) MAPK1NPSR1PGDCYP2C9ADORA3
SCHEMBL15326452 0.80 MAPK1 (0.42) MAPK1NPSR1PGDGAACA2
SCHEMBL16639434 0.77
SCHEMBL4396176 0.76 TSHR (0.50) CYP2C9
SCHEMBL16640743 0.76 MAPK1 (0.34) MAPK1NPSR1PGD
SCHEMBL18658568 0.76 MAPK1 (0.34) MAPK1NPSR1PGD
SCHEMBL15325122 0.76 MAPK1 (0.42) MAPK1NPSR1PGD
SCHEMBL15326430 0.76 MAPK1 (0.42) MAPK1NPSR1PGD

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-9365573-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-14 US disclosed
US-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-16 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-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE CYP51A1, DHCR7, LSS MAPK1 3539/4885NPSR1 1105/4885PGD 1479/4885

“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.