SCHEMBL4554388

SCHEMBL4554388

CCC(=O)[C@H](Cc1c[nH]cn1)NN

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 4/20 0.32
CPB1 P15086 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL14402303 0.88 CPB2 (0.30) CPB2CPB1
SCHEMBL1675292 0.87
SCHEMBL12957781 0.87
SCHEMBL13544145 0.87
SCHEMBL4305378 0.85 CPB2 (0.32) CPB2CPB1
SCHEMBL19369971 0.84 MAP3K7 (0.31)
SCHEMBL13781137 0.84 MAP3K7 (0.31)
SCHEMBL1666636 0.83 CPB2 (0.36) CPB2CPB1SMN1; SMN2
SCHEMBL1666632 0.83 CPB2 (0.36) CPB2CPB1SMN1; SMN2
SCHEMBL1331492 0.83 CPB2 (0.36) CPB2CPB1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8173410-B2 Isoprene synthase variants for improved microbial production of isoprene DANISCO US INC. (US) 2012-05-08 US disclosed
US-20110288023-A1 CANCER DRUG DELIVERY USING MODIFIED TRANSFERRIN THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) 2011-11-24 US disclosed
US-20100003716-A1 ISOPRENE SYNTHASE VARIANTS FOR IMPROVED MICROBIAL PRODUCTION OF ISOPRENE THE GOODYEAR TIRE & RUBBER COMPANY 2010-01-07 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-20100003716-A1 ISOPRENE SYNTHASE VARIANTS FOR IMPROVED MICROBIAL PRODUCTION OF ISOPRENE GGPS1, COASY, FDPS CPB2 1590/4885CPB1 874/4885SMN1; SMN2 4172/4885

“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.