SCHEMBL4124630

SCHEMBL4124630

Nc1nc2c(OCP(=O)(O)O)cc(C(=O)O)cc2s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.41
FBP1 P09467 6/20 0.41
TOP2A P11388 1/20 0.38
CYP2D6 P10635 1/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
NSD1 Q96L73 1/20 0.34
CSNK2A1 P68400 1/20 0.34

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
SCHEMBL4138689 0.82 ALDH1A1 (0.50) FBP1ALDH1A1LMNAMAPTNSD1
SCHEMBL4139303 0.82 HSD17B10 (0.50) FBP1ALDH1A1LMNARAB9AMAPT
SCHEMBL4123151 0.82 NSD1 (0.51) CYP2C19FBP1ALDH1A1LMNAMAPT
SCHEMBL4134264 0.80 FBP1 (0.42) CYP2C19FBP1ALDH1A1LMNAMAPT
SCHEMBL4128702 0.80 NPC1 (0.42) CYP2C19FBP1ALDH1A1LMNANPC1
SCHEMBL23628947 0.79 TOP2A (0.55) CYP2C19TOP2ACYP2D6CYP2C9
SCHEMBL20554137 0.79 CYP3A4 (0.51) CYP2C19MAPTNSD1CSNK2A1
SCHEMBL4140328 0.78 FBP1 (0.44) CYP2C19FBP1ALDH1A1LMNANPC1
SCHEMBL4289343 0.76 TDP1 (0.56) FBP1ALDH1A1LMNAMAPT
SCHEMBL23195868 0.75 NPC1 (0.42) CYP2C19ALDH1A1LMNANPC1RAB9A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS JIANG TAO 2009-07-30 US disclosed
US-6965033-B2 Bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. (US) 2005-11-15 US disclosed
US-20050004077-A1 Novel bisamidate phosphonate prodrugs JIANG TAO (US) 2005-01-06 US disclosed
US-20020173490-A1 Novel bisamidate phosphonate prodrugs METABASIS THERAPEUTICS, INC. 2002-11-21 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 (3 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-20020173490-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, G6PC1 CYP2C19 920/4885FBP1 1/4885TOP2A 3771/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 CYP2C19 726/4885FBP1 1/4885TOP2A 3801/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 CYP2C19 726/4885FBP1 1/4885TOP2A 3801/4885

“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.