SCHEMBL2440602

SCHEMBL2440602

CC(C)(C)OC(=O)NC(C(=O)N1CCC2C1C(c1c[nH]c3cc(F)ccc13)CN2C(=O)c1ccccc1)C1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.35
CTSV O60911 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
HSD11B1 P28845 1/20 0.34
CCR2 P41597 5/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CCKAR P32238 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL12299626 1.00 CTSL (0.35) CTSLCTSVCTSSCTSKHSD11B1
SCHEMBL2438546 0.93 HSD11B1 (0.36) CTSLHSD11B1CCR2
SCHEMBL12329668 0.93 HSD11B1 (0.36) CTSLHSD11B1CCR2
SCHEMBL2443150 0.92 HSD11B1 (0.35) CTSLHSD11B1CCR2
SCHEMBL12299647 0.92 HSD11B1 (0.35) CTSLHSD11B1CCR2
SCHEMBL2442467 0.91 AAK1 (0.35) HSD11B1CCR2
SCHEMBL12299605 0.91 AAK1 (0.35) HSD11B1CCR2
SCHEMBL12299624 0.91 CTSL (0.39) CTSLCCKAR
SCHEMBL2440138 0.91 CTSL (0.39) CTSLCCKAR
SCHEMBL2445282 0.90 DRD2 (0.34) CTSLHSD11B1

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-8399683-B2 IAP inhibitors TETRALOGIC PHARMACEUTICALS (US) 2013-03-19 US disclosed
US-20110237517-A1 IAP INHIBITORS TETRALOGIC PHARMACEUTICALS CORP. 2011-09-29 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-20110237517-A1 IAP INHIBITORS XIAP, IAPP, BIRC5 CTSL 134/4885CTSV 175/4885CTSS 374/4885

“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.