SCHEMBL1315523

SCHEMBL1315523

C[C@@H]1N[C@H](c2ccccc2)COC1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.45
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
CYP2C19 P33261 1/20 0.37
CYP2C9 P11712 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP19A1 P11511 2/20 0.36
TSHR P16473 2/20 0.35
CHRNA7 P36544 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL1315164 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL11951038 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL14601299 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL2534767 1.00 SMN1; SMN2 (0.45) SMN1; SMN2MEN1KMT2ALMNACYP2C19
SCHEMBL1315418 0.79 CACNA1G (0.51) SMN1; SMN2MEN1KMT2ALMNACYP19A1
SCHEMBL1318530 0.79 MEN1 (0.39) SMN1; SMN2MEN1KMT2ALMNACYP19A1
SCHEMBL1317448 0.76 CACNA1G (0.56) CYP2C19CYP1A2CYP3A4
SCHEMBL13446662 0.76 CACNA1G (0.56) CYP2C19CYP1A2CYP3A4
SCHEMBL22854374 0.75 CACNA1G (0.40) SMN1; SMN2MEN1KMT2ALMNACYP3A4
SCHEMBL7662572 0.73 SMN1; SMN2 (0.53) SMN1; SMN2MEN1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161277-B1 Asymmetric synthesis of peptides UNIV READING (GB) 2013-04-10 EP disclosed
US-8399612-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2013-03-19 US disclosed
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2012-07-26 US disclosed
US-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING 2011-11-10 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
EP-2161277-A2 Asymmetric synthesis of peptides University of Reading (GB) 2010-03-10 EP disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 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-20110275784-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT SMN1; SMN2 3395/4885MEN1 1231/4885KMT2A 2379/4885
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT SMN1; SMN2 3395/4885MEN1 1231/4885KMT2A 2379/4885
US-20120190816-A9 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT SMN1; SMN2 3395/4885MEN1 1231/4885KMT2A 2379/4885

“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.