SCHEMBL4128702

SCHEMBL4128702

CCc1cc(OCP(=O)(O)O)c2nc(N)sc2c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
FBP1 P09467 9/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 3/20 0.36
HSD17B10 Q99714 2/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNH2 Q12809 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CYP2C19 P33261 1/20 0.34
NSD1 Q96L73 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
SCHEMBL4140328 0.90 FBP1 (0.44) NPC1RAB9ASMN1; SMN2FBP1MAPT
SCHEMBL4139303 0.85 HSD17B10 (0.50) RAB9AFBP1MAPTALDH1A1LMNA
SCHEMBL4134264 0.82 FBP1 (0.42) FBP1MAPTALDH1A1LMNACYP3A4
SCHEMBL4138689 0.82 ALDH1A1 (0.50) FBP1MAPTALDH1A1LMNACYP3A4
SCHEMBL4123151 0.82 NSD1 (0.51) FBP1MAPTALDH1A1LMNACYP3A4
SCHEMBL4124630 0.80 CYP2C19 (0.41) NPC1RAB9AFBP1MAPTALDH1A1
SCHEMBL20103030 0.78 CYP3A4 (0.54) NPC1RAB9ASMN1; SMN2MAPTALDH1A1
SCHEMBL4289343 0.76 TDP1 (0.56) SMN1; SMN2FBP1MAPTALDH1A1LMNA
SCHEMBL4129014 0.76 FBP1 (0.39) SMN1; SMN2FBP1HSD17B10TLR7
SCHEMBL4129034 0.76 FBP1 (0.39) FBP1MAPTALDH1A1LMNATLR7

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 NPC1 1604/4885RAB9A 1895/4885SMN1; SMN2 2797/4885
US-20050004077-A1 Novel bisamidate phosphonate prodrugs FBP1, PFKFB1, PFKFB2 NPC1 2241/4885RAB9A 1770/4885SMN1; SMN2 3337/4885
US-20090192121-A1 NOVEL BISAMIDATE PHOSPHONATE PRODRUGS FBP1, PFKFB1, PFKFB2 NPC1 2241/4885RAB9A 1770/4885SMN1; SMN2 3337/4885

“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.