SCHEMBL7042296

SCHEMBL7042296

COc1ccc(CCCCC(=O)N[C@@H](CC(C)C)C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.60
KMT2A Q03164 1/20 0.60
MMP1 P03956 1/20 0.52
MAPT P10636 1/20 0.51
ITGB3 P05106 1/20 0.51
ITGA2B P08514 1/20 0.51
LPAR1 Q92633 1/20 0.50
ATM Q13315 1/20 0.49
ANPEP P15144 1/20 0.48

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
SCHEMBL7042302 1.00 ALDH1A1 (0.60) ALDH1A1KMT2AMMP1MAPTITGB3
SCHEMBL6403555 0.84 HTT (0.58) ALDH1A1MMP1MAPTATMANPEP
SCHEMBL15251955 0.84 HTT (0.58) ALDH1A1MMP1MAPTATMANPEP
SCHEMBL4268532 0.82 SMN1; SMN2 (0.63) MAPT
SCHEMBL21759695 0.82 SMN1; SMN2 (0.63) MAPT
SCHEMBL15623775 0.78 ALDH1A1 (0.62) ALDH1A1KMT2AMAPT
SCHEMBL28356153 0.78 ALDH1A1 (0.64) ALDH1A1KMT2AANPEP
SCHEMBL14729380 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL18145530 0.78 ALDH1A1 (0.57) ALDH1A1KMT2AITGB3ITGA2B
SCHEMBL4027352 0.77 PLA2G2A (0.61) ALDH1A1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 US claimed
US-20030044399-A1 Method of treatment SMITHKLINE BEECHAM CORPORATION 2003-03-06 US claimed
US-20030225061-A1 Protease inhibitors MARQUIS ROBERT WELLS (US) 2003-12-04 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 (2 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-20030225061-A1 Protease inhibitors CTSK, MMP13, CTSZ ALDH1A1 3651/4885KMT2A 2920/4885MMP1 16/4885
US-20030044399-A1 Method of treatment DNPEP, PEPD, ANPEP ALDH1A1 1483/4885KMT2A 1833/4885MMP1 91/4885

“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.