SCHEMBL7079518

SCHEMBL7079518

CCN1c2ccc(C(=O)O)cc2CNC(=O)C1CC(=O)O.c1cc2ccc1-2

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
ALDH1A1 P00352 8/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MCL1 Q07820 1/20 0.34
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
TP53 P04637 1/20 0.33
RARB P10826 1/20 0.33

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
SCHEMBL7366389 0.83 TSHR (0.43) TSHRALDH1A1L3MBTL1TDP1ITGB3
SCHEMBL7078805 0.83 TSHR (0.43) TSHRALDH1A1L3MBTL1TDP1ITGB3
SCHEMBL7333012 0.81 TSHR (0.39) TSHRALDH1A1L3MBTL1TDP1ITGB3
SCHEMBL7444030 0.75 HPGD (0.43) TSHRALDH1A1TDP1ITGB3SMN1; SMN2
SCHEMBL7401266 0.69 TSHR (0.43) TSHRALDH1A1L3MBTL1TDP1ITGB3
SCHEMBL7919242 0.69 TSHR (0.43) TSHRALDH1A1L3MBTL1TDP1ITGB3
SCHEMBL23535782 0.69 LMNA (0.49) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL30040376 0.69 LMNA (0.49) ALDH1A1L3MBTL1TDP1POLBKDM4E
SCHEMBL8364227 0.68 ITGB3 (0.54) ALDH1A1TDP1ITGB3ITGA2BKDM4E
SCHEMBL6676454 0.68 ITGB3 (0.60) ALDH1A1TDP1ITGB3ITGA2BKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946180-A4 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORP (US) 2003-07-23 EP disclosed
US-20010034445-A1 Vitronectin receptor antagonists SMITHKLINE BEECHAM CORPORATION 2001-10-25 US disclosed
EP-0895475-A4 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2000-08-23 EP disclosed
EP-0946180-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1999-10-06 EP disclosed
EP-0906103-A4 1999-04-07 EP disclosed
EP-0906103-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-04-07 EP disclosed
EP-0895475-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1999-02-10 EP disclosed
WO-1998015278-A1 METHOD FOR STIMULATING BONE FORMATION SMITHKLINE BEECHAM CORPORATION (US) 1998-04-16 WO disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 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-20010034445-A1 Vitronectin receptor antagonists ADGRF1, GPR174, CALCRL TSHR 443/4885ALDH1A1 2598/4885L3MBTL1 4542/4885

“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.