SCHEMBL7046902

SCHEMBL7046902

Cc1cccc(CC[C@H](NC(=O)CCCCNC(=O)OCc2ccccc2)C(O)c2nc(C(=O)NCc3ccc(Cl)cc3)co2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.40
ITGB3 P05106 2/20 0.36
ITGAV P06756 2/20 0.36
PTGER4 P35408 3/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
TBXA2R P21731 3/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
TPSAB1 Q15661 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FOLH1 Q04609 2/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 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
SCHEMBL7185046 0.95 HSP90AA1 (0.38) HSP90AA1ITGB3ITGAVPTGER4MAPT
SCHEMBL7045972 0.92 TP53 (0.38) HSP90AA1PTGER4LMNAMAPTMEN1
SCHEMBL7046400 0.88 PTGER4 (0.38) PTGER4MAPTFOLH1HDAC3HDAC4
SCHEMBL7049411 0.84 TLR2 (0.38) PTGER4MAPTTBXA2RFOLH1
SCHEMBL7042861 0.83 FOLH1 (0.36) PTGER4MAPTFOLH1BMP1
SCHEMBL7049142 0.82 ANPEP (0.37) PTGER4MAPTFOLH1HDAC3HDAC4
SCHEMBL7042122 0.81 FOLH1 (0.35) PTGER4MAPTFOLH1HDAC1HDAC6
SCHEMBL7046323 0.77 HDAC1 (0.44) PTGER4MAPTFOLH1HDAC3HDAC4
SCHEMBL6062759 0.73 PSMB1 (0.55)
SCHEMBL6061842 0.72 MAPT (0.38) HSP90AA1PTGER4MAPTL3MBTL1FOLH1

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 HSP90AA1 2073/4885ITGB3 2061/4885ITGAV 3586/4885

“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.