SCHEMBL7045967

SCHEMBL7045967

C[C@@H]1N=C(C(=O)C(CCc2ccccc2)NC(=O)O)O[C@H]1c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
HTT P42858 1/20 0.37
HPGD P15428 1/20 0.37
MDM2 Q00987 1/20 0.37
TSHR P16473 2/20 0.37
USP2 O75604 1/20 0.37
ACE P12821 2/20 0.36
LMNA P02545 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CNR2 P34972 1/20 0.36
MMP8 P22894 2/20 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
SCHEMBL6531737 0.72 CTSL (0.43)
SCHEMBL3718009 0.70 SMN1; SMN2 (0.52) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL14350869 0.70 MME (0.58) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL7649111 0.67 CNR2 (0.50) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL7593794 0.67 CTSL (0.46)
SCHEMBL24414243 0.67 MMP9 (0.54) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL7137335 0.65 CNR2 (0.47) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL8980361 0.64 CYP2C19 (0.32)
SCHEMBL2543476 0.64 SMN1; SMN2 (0.73) SMN1; SMN2KMT2AMEN1HTTHPGD
SCHEMBL15936045 0.64 RAB9A (0.55) SMN1; SMN2KMT2AMEN1HPGDALDH1A1

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 SMN1; SMN2 4034/4885KMT2A 3705/4885MEN1 4023/4885

“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.