SCHEMBL5870505

SCHEMBL5870505

COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCc1ccccc1)SC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 1/20 0.53
CTSL P07711 2/20 0.49
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 1/20 0.47
MMP3 P08254 2/20 0.47
ALDH1A1 P00352 1/20 0.46
THRB P10828 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ANPEP P15144 1/20 0.45
MMP2 P08253 1/20 0.44
CTSK P43235 1/20 0.44

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
SCHEMBL5870510 1.00 BIRC2 (0.53) BIRC2CTSLTAS1R3TAS1R1MMP3
SCHEMBL5870502 1.00 BIRC2 (0.53) BIRC2CTSLTAS1R3TAS1R1MMP3
SCHEMBL10956811 0.88 BIRC2 (0.60) BIRC2ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL8014945 0.84 MME (0.53) CTSLMMP2
SCHEMBL17452196 0.83 BIRC2 (0.59) BIRC2CTSLTAS1R3TAS1R1MMP3
SCHEMBL6414504 0.83 MMP1 (0.56) MMP3MMP2
SCHEMBL24356018 0.82 BIRC2 (0.58) BIRC2CTSLTAS1R3TAS1R1MMP3
SCHEMBL5869576 0.81 BIRC2 (0.57) BIRC2CTSLTAS1R3TAS1R1MMP3
SCHEMBL5869570 0.81 BIRC2 (0.57) BIRC2CTSLTAS1R3TAS1R1MMP3
SCHEMBL5869583 0.81 BIRC2 (0.57) BIRC2CTSLTAS1R3TAS1R1MMP3

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 5 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
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO 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 BIRC2 2483/4885CTSL 911/4885TAS1R3 4635/4885

“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.