SCHEMBL5869856

SCHEMBL5869856

COc1cccc(C(=O)NC[C@H](N[C@@H](CC(C)C)C(=O)O)C(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.53
CTSS P25774 1/20 0.53
CTSK P43235 1/20 0.53
GPR139 Q6DWJ6 3/20 0.52
GAA P10253 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ITGAV P06756 1/20 0.49
ALDH1A1 P00352 1/20 0.49
MMP13 P45452 1/20 0.49
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
DRD4 P21917 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL5869846 1.00 CTSL (0.53) CTSLCTSSCTSKGPR139GAA
SCHEMBL5869864 1.00 CTSL (0.53) CTSLCTSSCTSKGPR139GAA
SCHEMBL5870303 0.89 CTSL (0.54) CTSLCTSSCTSKGPR139GAA
SCHEMBL5870282 0.89 CTSL (0.54) CTSLCTSSCTSKGPR139GAA
SCHEMBL5870293 0.89 CTSL (0.54) CTSLCTSSCTSKGPR139GAA
SCHEMBL24283563 0.84 CTSL (0.64) CTSLCTSSCTSKGPR139NPC1
SCHEMBL24283565 0.84 CTSL (0.64) CTSLCTSSCTSKGPR139NPC1
SCHEMBL5869372 0.83 KMT2A (0.52) CTSLCTSSCTSKGPR139GAA
SCHEMBL5869379 0.83 KMT2A (0.52) CTSLCTSSCTSKGPR139GAA
SCHEMBL5869387 0.83 KMT2A (0.52) CTSLCTSSCTSKGPR139GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 US disclosed
US-20040082496-A1 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. 2004-04-29 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-20040082496-A1 ACE-2 modulating compounds and methods of use thereof ACE, ACE2, AGTR2 CTSL 911/4885CTSS 751/4885CTSK 541/4885

“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.