SCHEMBL1281745

SCHEMBL1281745

CN(C)[C@@](C)(CC(N)=O)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HIF1A Q16665 1/20 0.36
KDM4E B2RXH2 1/20 0.32
HMGCR P04035 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
ADRA1A P35348 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TET2 Q6N021 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
SCHEMBL1281746 1.00 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL1282328 0.78 KMT2A (0.31) ALDH1A1
SCHEMBL1282326 0.78 KMT2A (0.31) ALDH1A1
SCHEMBL10789922 0.76 KDM4E (0.39) TSHRCYP2D6CYP2C19HIF1AKDM4E
SCHEMBL10768836 0.73 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL3457363 0.73 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL4669160 0.73 KDM4E (0.31) CYP2C19KDM4EHMGCRCHRM1TBXA2R
SCHEMBL1281592 0.73 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL1281593 0.73 TSHR (0.36) TSHRCYP2D6CYP2C19HIF1AHMGCR
SCHEMBL27466000 0.73 GGT1 (0.33) TSHRCYP2D6CYP2C19HIF1AKDM4E

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-9005920-B2 Solution for cell-free protein synthesis, kit for cell-free protein synthesis, and method of protein synthesis TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2015-04-14 US disclosed
EP-2447365-A1 CELL-FREE PROTEIN SYNTHESIS SOLUTION, CELL-FREE PROTEIN SYNTHESIS KIT, AND PROTEIN SYNTHESIS METHOD Toyota Jidosha Kabushiki Kaisha (JP) 2012-05-02 EP disclosed
US-20120088269-A1 SOLUTION FOR CELL-FREE PROTEIN SYNTHESIS, KIT FOR CELL-FREE PROTEIN SYNTHESIS, AND METHOD OF PROTEIN SYNTHESIS TOYOTA JIDOSHA KABUSHIKI KAISHA (JP) 2012-04-12 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-20120088269-A1 SOLUTION FOR CELL-FREE PROTEIN SYNTHESIS, KIT FOR CELL-FREE PROTEIN SYNTHESIS, AND METHOD OF PROTEIN SYNTHESIS SMS, RNMT, SET TSHR 4454/4885CYP2D6 3915/4885CYP2C19 4243/4885

“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.