SCHEMBL15328461

SCHEMBL15328461

CC(C)C(NC(N)=S)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
GAA P10253 2/20 0.49
LMNA P02545 1/20 0.49
HPGD P15428 1/20 0.49
ALDH1A1 P00352 4/20 0.45
CA2 P00918 4/20 0.44
CA1 P00915 3/20 0.44
PLA2G2A P14555 1/20 0.41
PLA2G5 P39877 1/20 0.41
FPR2 P25090 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 1/20 0.39
SLC7A5 Q01650 1/20 0.37
MAPK1 P28482 1/20 0.37
POLB P06746 1/20 0.37

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
SCHEMBL4318209 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL6333157 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL7283979 0.81 SMN1; SMN2 (0.52) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL3286142 0.81 SMN1; SMN2 (0.46) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL9190372 0.77 SMN1; SMN2 (0.43) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL9190374 0.77 SMN1; SMN2 (0.43) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL9568635 0.77 SMN1; SMN2 (0.49) SMN1; SMN2GAALMNAHPGDALDH1A1
SCHEMBL9500795 0.76
SCHEMBL9500789 0.76
SCHEMBL9717667 0.75 SMN1; SMN2 (0.48) SMN1; SMN2GAALMNAHPGDALDH1A1

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-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
EP-2627662-B1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL MYERS SQUIBB CO (US) 2015-09-16 EP disclosed
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN SMN1; SMN2 1081/4885GAA 4373/4885LMNA 1956/4885

“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.