SCHEMBL2512002

SCHEMBL2512002

CC(NC(=O)OC(C)(C)C)C(=O)Nc1cccc(S(C)(=O)=O)c1NCc1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.40
CTSK P43235 2/20 0.40
TSHR P16473 3/20 0.39
LMNA P02545 2/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPSR1 Q6W5P4 2/20 0.38
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
JAK2 O60674 3/20 0.37
TP53 P04637 2/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CA2 P00918 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
SCHEMBL2512003 1.00 CTSS (0.40) CTSSCTSKTSHRLMNAPPARG
SCHEMBL2505677 0.92 CTSS (0.41) CTSSCTSKTSHRLMNAPPARG
SCHEMBL2505674 0.92 CTSS (0.41) CTSSCTSKTSHRLMNAPPARG
SCHEMBL27929041 0.91 CTSS (0.35) CTSSCTSKTSHRLMNAPPARG
SCHEMBL12223765 0.88 CTSS (0.42) CTSSCTSKTSHRLMNAPPARG
SCHEMBL2505910 0.88 PSEN1 (0.36) LMNAALDH1A1SMN1; SMN2
SCHEMBL27929175 0.83 CTSS (0.36) CTSSCTSKLMNAPOLBMAPK1
SCHEMBL2503897 0.82 CTSK (0.43) CTSSCTSKPOLBTP53CA2
SCHEMBL2503898 0.82 CTSK (0.43) CTSSCTSKPOLBTP53CA2
SCHEMBL2510713 0.80 KMT2A (0.47) TSHRALDH1A1ATMHSD17B10AAK1

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 CTSS 598/4885CTSK 1268/4885TSHR 1588/4885

“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.