SCHEMBL7034097

SCHEMBL7034097

CC(C)(C)COC(=O)N[C@@H](CN)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.41
ITGAV P06756 2/20 0.40
ITGB3 P05106 2/20 0.40
TSHR P16473 2/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
ADRA1A P35348 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
KMT2A Q03164 1/20 0.35
CTSS P25774 3/20 0.34
CTSL P07711 2/20 0.34
CTSB P07858 2/20 0.34
ITGB6 P18564 1/20 0.34
TGFBR1 P36897 1/20 0.33
ITGA2B P08514 1/20 0.32
CTSH P09668 1/20 0.32
PPARA Q07869 2/20 0.32
PPARG P37231 1/20 0.32

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
SCHEMBL7034093 1.00 CTSK (0.41) CTSKITGAVITGB3TSHRLMNA
SCHEMBL18495331 0.84 TGFBR1 (0.49) CTSKITGAVITGB3TSHRLMNA
SCHEMBL30401627 0.83 FOLH1 (0.50) CTSKITGB3ITGA2BFOLH1
SCHEMBL8142588 0.80 CAD (0.39) ITGAVITGB3LMNANFKB1TGFBR1
SCHEMBL8088644 0.80 CAD (0.39) ITGAVITGB3LMNANFKB1TGFBR1
SCHEMBL68958 0.79 TSHR (0.43) CTSKITGAVITGB3TSHRLMNA
SCHEMBL1742210 0.79 CTSK (0.50) CTSKITGB3KMT2ACTSSCTSL
SCHEMBL206031 0.79 CTSK (0.50) CTSKITGB3KMT2ACTSSCTSL
SCHEMBL646750 0.79 CTSK (0.50) CTSKITGB3KMT2ACTSSCTSL
SCHEMBL6887447 0.78 TSHR (0.34) CTSKTSHRLMNACYP3A4NFKB1

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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors AMERICAN HOME PRODUCTS CORPORATION (US) 2003-10-02 US disclosed
WO-1999052879-A1 ACYLRESORCINOL DERIVATIVES AS SELECTIVE VITRONECTIN RECEPTOR INHIBITORS AMERICAN HOME PRODUCTS CORPORATION (US) 1999-10-21 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-20030186967-A1 Acylresorcinol derivatives are selective vitronectin receptor inhibitors ASGR1, TEK, APLNR CTSK 3054/4885ITGAV 289/4885ITGB3 403/4885

“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.