SCHEMBL15340933

SCHEMBL15340933

COc1cnc(NCC(=O)O)s1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.36
ALOX12 P18054 1/20 0.36
MAPK10 P53779 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
TP53 P04637 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
P2RY2 P41231 2/20 0.33
POLB P06746 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
CDK5 Q00535 1/20 0.33
CSNK2A2 P19784 1/20 0.33
CSNK2A1 P68400 1/20 0.33
TMPRSS15 P98073 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL12469715 0.72 PTGS2 (0.40) PTGS2KDM4EPI4KBP2RY2CSNK2A2
Hydrochloric Acid SCHEMBL21229051 0.72 PTGS2 (0.40) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL13610783 0.72 SMN1; SMN2 (0.59) PTGS2SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL28800465 0.70 MEN1 (0.55) SMN1; SMN2NPC1RAB9ACDK2KMT2A
SCHEMBL15943687 0.69 SMN1; SMN2 (0.49) SMN1; SMN2ALOX12MAPK10NPC1RAB9A
SCHEMBL13436508 0.66 CDK2 (0.55) SMN1; SMN2P2RY2CCNE1CDK2CDK5
SCHEMBL21250386 0.66 ALDH1A1 (0.40) SMN1; SMN2CCNE1CDK2CDK5TMPRSS15
SCHEMBL25142670 0.65 RAB9A (0.52) SMN1; SMN2KDM4ENPC1RAB9ATP53
SCHEMBL6644838 0.65 KMT2A (0.57) SMN1; SMN2KDM4ENPC1RAB9APOLB
SCHEMBL18667818 0.64 ALDH1A1 (0.39) SMN1; SMN2POLBCCNE1CDK2CDK5

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 2 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-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 PTGS2 3542/4885SMN1; SMN2 1081/4885ALOX12 4732/4885

“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.