SCHEMBL3435005

SCHEMBL3435005

COC(=O)CN(Cc1cc(F)c(F)cc1NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.40
BACE1 P56817 4/20 0.39
PTGDR2 Q9Y5Y4 4/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KCNQ4 P56696 3/20 0.38
KCNQ5 Q9NR82 3/20 0.38
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
BRD4 O60885 1/20 0.36
AKT1 P31749 1/20 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
SCHEMBL3400744 0.93 SYK (0.41) SYKBACE1PTGDR2NPC1RAB9A
SCHEMBL3428713 0.74 SYK (0.41) SYKNPC1RAB9ACTSSCYP2C9
SCHEMBL3428712 0.73 SYK (0.40) SYKNPC1RAB9ACYP2C9BRD4
SCHEMBL782973 0.72 ALDH1A1 (0.47) SYKCTSLCTSBCTSSL3MBTL1
SCHEMBL13193091 0.72 MGLL (0.51) SYKPTGDR2NPC1RAB9AL3MBTL1
SCHEMBL14966705 0.72 SYK (0.41) SYKPTGDR2L3MBTL1AKT1
SCHEMBL38657116 0.70 PTGDR2 (0.41) PTGDR2CYP3A4CYP2C9TBXA2RPTGIR
SCHEMBL26092247 0.70 HDAC3 (0.47) SYKBACE1NPC1RAB9ACTSL
SCHEMBL13721704 0.70 HDAC3 (0.47) SYKBACE1CTSLCTSBCTSS
SCHEMBL15877926 0.70 HDAC1 (0.39) SYKRAB9ACTSLCTSBCTSS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2250157-B1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LTD (IN) 2014-11-05 EP disclosed
US-8455479-B2 Heterocyclic compounds PANACEA BIOTEC LIMITED (IN) 2013-06-04 US disclosed
US-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC PHARMA LIMITED (IN) 2010-12-09 US disclosed
EP-2250157-A1 NOVEL HETEROCYCLIC COMPOUNDS Panacea Biotec Limited (IN) 2010-11-17 EP disclosed
WO-2009093269-A1 NOVEL HETEROCYCLIC COMPOUNDS PANACEA BIOTEC LIMITED (IN) 2009-07-30 WO 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-20100311732-A1 NOVEL HETEROCYCLIC COMPOUNDS DPP4, DPP3, DPP8 SYK 3820/4885BACE1 65/4885PTGDR2 2156/4885

“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.