SCHEMBL12469715

SCHEMBL12469715

O=Cc1cnc(NCC(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.40
CSNK2A2 P19784 1/20 0.39
CSNK2B P67870 1/20 0.39
CSNK2A1 P68400 1/20 0.39
CSNK2A3 Q8NEV1 1/20 0.39
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 2/20 0.36
MAPT P10636 1/20 0.35
KCNJ1 P48048 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RY2 P41231 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL15340974 0.78 CCNE2 (0.43) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL15328603 0.77 ALDH1A1 (0.39) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL7019955 0.77 CSNK2A2 (0.47) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL15328233 0.77 P2RY2 (0.38) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL22995770 0.76 CSNK2A2 (0.39) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL15328578 0.75 SMN1; SMN2 (0.33) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL12470237 0.75 SMN1; SMN2 (0.33) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL12470242 0.75 SMN1; SMN2 (0.33) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL15328373 0.75 CSNK2A2 (0.37) CSNK2A2CSNK2BCSNK2A1CSNK2A3ALDH1A1
SCHEMBL15328805 0.73 MMP3 (0.45) CSNK2A2CSNK2BCSNK2A1CSNK2A3

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 10 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
US-9169295-B2 Macrocycles and macrocycle stabilized peptides BRISTOL-MYERS SQUIBB COMPANY (US) 2015-10-27 US disclosed
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
US-20130281657-A1 MACROCYCLES AND MACROCYCLE STABILIZED PEPTIDES BRISTOL-MYERS SQUIBB COMPANY (US) 2013-10-24 US 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 PTGS2 3542/4885CSNK2A2 2005/4885CSNK2B 1944/4885

“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.