SCHEMBL16639442

SCHEMBL16639442

CC(=O)Nc1nc(NCC(=O)[C@@H](O)[C@H](C)O)c(C)c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GDA Q9Y2T3 1/20 0.37
POLB P06746 1/20 0.36
ALOX15 P16050 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
FGFR1 P11362 3/20 0.34
FGFR2 P21802 3/20 0.34
FGFR3 P22607 1/20 0.33
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NCOA3 Q9Y6Q9 1/20 0.33
LMNA P02545 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL15325115 0.83 GDA (0.34) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL16488189 0.83 GDA (0.34) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL18257489 0.83 GDA (0.34) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL24802600 0.69 ADORA3 (0.56) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL16639430 0.67 ADORA3 (0.54) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL18658580 0.61 GDA (0.39) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL216305 0.61 ALDH1A1 (0.48) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL18658590 0.60 KMT2A (0.39) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL16466807 0.60 KMT2A (0.36) ADORA3KMT2AALDH1A1GAAKDM4E
SCHEMBL22036469 0.60 ALDH1A1 (0.43) ADORA3KMT2AALDH1A1GAAKDM4E

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-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 ADORA3 3334/4885KMT2A 4271/4885ALDH1A1 2690/4885

“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.