SCHEMBL19425902

SCHEMBL19425902

CC(C)n1sc2cc(O)c(O)cc2c1=O

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GPR35 Q9HC97 1/20 0.34
SRC P12931 1/20 0.34
GSK3A P49840 1/20 0.30
GSK3B P49841 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
SCHEMBL17300638 0.88 HPGD (0.33) NPC1GAAHPGDRAB9ASMN1; SMN2
SCHEMBL1608981 0.76 G6PD (0.50) HPGDGPR35SRC
SCHEMBL17191871 0.71 CA12 (0.38) GPR35SRC
SCHEMBL17300695 0.71
SCHEMBL17300636 0.71
SCHEMBL8620412 0.70 CASP3 (0.58) NPC1GAAHPGDRAB9ASMN1; SMN2
SCHEMBL17300633 0.65 MEN1 (0.31) GAA
SCHEMBL17300685 0.65 KDM4E (0.31)
SCHEMBL19426102 0.63 SRC (0.40) GAAHPGDSMN1; SMN2SRC
SCHEMBL15680602 0.62 ESR1 (0.36)

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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS GLAXO GROUP LIMITED (GB) 2017-10-05 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-20170281532-A1 2 SUBSTITUTED CEPHEM COMPOUNDS CEP170, CES2, CMBL NPC1 864/4885GAA 31/4885HPGD 1840/4885

“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.