SCHEMBL5013789

SCHEMBL5013789

COC(=O)C(C)(C(=O)c1ccc(F)cc1)C(=O)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MLYCD O95822 2/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
MAPT P10636 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
MAPK1 P28482 2/20 0.39
HTT P42858 1/20 0.39
SRC P12931 1/20 0.38
ATM Q13315 1/20 0.38
ALDH1A1 P00352 3/20 0.37
GAA P10253 3/20 0.37
KDM4E B2RXH2 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 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
SCHEMBL5008449 0.83 NPC1 (0.40) MLYCDADRB2ADRB1ADRB3NPC1
SCHEMBL2086146 0.74 SRC (0.68) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL4718633 0.71 SMN1; SMN2 (0.40) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL11299913 0.70 CES1 (0.46) ADRB2ADRB1ADRB3NPC1RAB9A
SCHEMBL2625487 0.68 CES2 (0.54) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL5466629 0.67 CES2 (0.52) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL7804393 0.67 CES1 (0.52) MLYCDNPC1RAB9AMAPTCES2
SCHEMBL2696027 0.67 CES2 (0.52) NPC1RAB9AMAPTLMNASMN1; SMN2
SCHEMBL186517 0.66 SMN1; SMN2 (0.49) NPC1RAB9AMAPTMEN1KMT2A
SCHEMBL14946488 0.66 L3MBTL1 (0.43) MLYCDADRB2ADRB1ADRB3NPC1

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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND AJINOMOTO CO., INC. (JP) 2008-01-10 US disclosed
EP-1849765-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND Ajinomoto Co., Inc. (JP) 2007-10-31 EP 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-20080009622-A1 METHOD FOR PRODUCING PYRIMIDINE COMPOUND TYMS, TYMP, UMPS MLYCD 1395/4885ADRB2 3007/4885ADRB1 3298/4885

“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.