Sugi Predict

Sugi Predict / Compounds / SCHEMBL12470237

SCHEMBL12470237

SCHEMBL12470237

CC(NC(=O)[C@H](C)NC(=O)CNc1ncc(C=O)s1)C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ CSNK2A3 Q8NEV1 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ SLC6A5 Q9Y345 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ MME P08473 4/20 0.32
▸ LTA4H P09960 3/20 0.32
▸ ANPEP P15144 1/20 0.32
▸ ECE1 P42892 1/20 0.32
▸ CCNE1 P24864 2/20 0.31
▸ CDK2 P24941 2/20 0.31
▸ CDK5 Q00535 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CDK4 P11802 1/20 0.31

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
SCHEMBL15328578 1.00 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL12470242 1.00 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL15344132 0.85 P2RY2 (0.35) ALDH1A1MAPTCCNE1CDK2CDK1
SCHEMBL15328608 0.80 CSNK2A2 (0.34) SMN1; SMN2ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL15328225 0.80 CSNK2A2 (0.34) SMN1; SMN2ALDH1A1CSNK2A2CSNK2BCSNK2A1
SCHEMBL15328397 0.80 NPY5R (0.41) —
SCHEMBL15328396 0.80 NPY5R (0.41) —
SCHEMBL15344187 0.79 OPRD1 (0.45) —
SCHEMBL15328796 0.78 ACE (0.42) —
SCHEMBL15328788 0.78 ACE (0.42) —

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 6 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
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
EP-2627662-A1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES Bristol-Myers Squibb Company (US) 2013-08-21 — — EP disclosed
WO-2012051405-A1 METHODS FOR PREPARING MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2012-04-19 — — 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-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES PTMS, VIP, MTPN SMN1; SMN2 1081/4885ALDH1A1 4758/4885CSNK2A2 2005/4885

“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.