SCHEMBL7049327

SCHEMBL7049327

CC(C[C@H](NC(=O)CCCCNC(=O)OCc1ccccc1)C(=O)c1nccs1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44
BMP1 P13497 1/20 0.43
FOLH1 Q04609 3/20 0.42
HTT P42858 1/20 0.42
MMP2 P08253 1/20 0.41
MMP3 P08254 1/20 0.41
MMP7 P09237 1/20 0.41
HDAC6 Q9UBN7 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
ANPEP P15144 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40

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
SCHEMBL7046334 0.85 CAPN1 (0.46) CAPN1CAPN2BMP1FOLH1HTT
SCHEMBL7044862 0.85 BMP1 (0.47) CAPN1CAPN2BMP1FOLH1HTT
SCHEMBL17666010 0.79 FOLH1 (0.52) FOLH1HTTMMP2MMP3MMP7
SCHEMBL28341577 0.78 MAPT (0.60) FOLH1HDAC6
SCHEMBL17646323 0.78 MAPT (0.60) FOLH1HDAC6
SCHEMBL28341559 0.76 ANPEP (0.62) FOLH1HTTMMP2HDAC6ANPEP
SCHEMBL17646395 0.76 ANPEP (0.62) FOLH1HTTMMP2HDAC6ANPEP
Hydrochloric Acid SCHEMBL28344079 0.75 ANPEP (0.61) FOLH1HTTMMP2HDAC6ANPEP
Hydrochloric Acid SCHEMBL17646405 0.75 ANPEP (0.61) FOLH1HTTMMP2HDAC6ANPEP
SCHEMBL17646277 0.75 F2 (0.49) FOLH1MMP2HDAC6ANPEP

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-20030232864-A1 Novel Compounds and compositions as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2003-12-18 US disclosed
US-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 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-20030232864-A1 Novel Compounds and compositions as protease inhibitors SERPINB1, CTRL, CTSZ CAPN1 56/4885CAPN2 62/4885BMP1 1852/4885

“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.