SCHEMBL2506780

SCHEMBL2506780

CC(NC(=O)O)C(=O)Nc1cccc(S(C)(=O)=O)c1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
BCAT2 O15382 1/20 0.37
PGR P06401 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
LMNA P02545 2/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
MMP9 P14780 1/20 0.35
MMP8 P22894 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
SCHEMBL2508791 0.84 HSD17B10 (0.41) CA1CA2MAPTHSD17B10HDAC3
SCHEMBL22494369 0.80 SMN1; SMN2 (0.50) LMNAGAAMAPTHDAC1SMN1; SMN2
SCHEMBL20899835 0.80 SMN1; SMN2 (0.50) LMNAGAAMAPTHDAC1SMN1; SMN2
SCHEMBL2507585 0.79 CYP3A4 (0.40) BCAT2PGRSCN1ASCN2ASCN3A
SCHEMBL27929093 0.77 POLB (0.40) CA1CA2LMNAGAAMAPT
SCHEMBL2507325 0.77 USP30 (0.39) PGRSCN1ASCN2ASCN3AHPGD
SCHEMBL2508377 0.75 MEN1 (0.41) LMNAGAAMAPTHPGDMAPK1
SCHEMBL2505910 0.74 PSEN1 (0.36) PGRSCN1ASCN2ASCN3ALMNA
SCHEMBL2508345 0.72 AAK1 (0.48) CA1CA2MAPTHSD17B10HDAC3
SCHEMBL25342801 0.71 KDM4E (0.56) LMNAGAAMAPTHPGDHSD17B10

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-8575183-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2013-11-05 US disclosed
US-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-10-06 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-20110245257-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CA1 2557/4885CA2 3198/4885BCAT2 1993/4885

“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.