SCHEMBL7217839

SCHEMBL7217839

CC1(c2ccc(CNc3nc4ccccc4[nH]3)cc2)NC(=O)N(CCC(NC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)C1=O

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 18/20 0.48
ITGAV P06756 18/20 0.48
ITGA2B P08514 3/20 0.44
ITGB5 P18084 2/20 0.44
TP53 P04637 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL7211407 0.96 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5TP53
Acetic Acid SCHEMBL7216501 0.82 KMT2A (0.42) ITGB3ITGA2BALDH1A1
SCHEMBL7217848 0.82 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5
SCHEMBL7216435 0.79 ALDH1A1 (0.45) ALDH1A1
SCHEMBL7211416 0.78 ITGB3 (0.52) ITGB3ITGAVITGA2BITGB5
SCHEMBL7217842 0.74 ITGB3 (0.45) ITGB3ITGAVITGA2BITGB5TP53
SCHEMBL7217807 0.74 ITGA4 (0.42) ITGB3ITGAVSMN1; SMN2ALDH1A1MAPT
SCHEMBL7211410 0.71 ITGB3 (0.48) ITGB3ITGAVITGA2BITGB5TP53
SCHEMBL7216458 0.70 ITGB3 (0.51) ITGB3ITGAVITGA2BITGB5
SCHEMBL7216519 0.69 ITGB3 (0.55) ITGB3ITGAVITGA2BITGB5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6620820-B2 Imidazole dione or one, thione derivatives as antitumor and antiinflammatory agents, also treats cardiovascular disease, nephropathies and retinopathies HOECHST AKTIENGESELLSCHAFT (DE) 2003-09-16 US disclosed
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors HOECHST AKTIENGESELLSCHAFT 2002-08-29 US disclosed
EP-0796855-B1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AG (DE) 2002-02-06 EP disclosed
US-6218415-B1 THERAPY OF BONE REABSORPTION BY OSTEOCLASTS, TUMOR GROWTH AND TUMOR METASTASIS, INFLAMMATION, CARDIOVASCULAR DISEASE, NEPHROPATHIES AND RETINOPATHIES HOECHST AKTIENGESELLSCHAFT (DE) 2001-04-17 US disclosed
EP-0796855-A1 Inhibitors of bone resorption and vitronectin receptor antagonists HOECHST AKTIENGESELLSCHAFT (DE) 1997-09-24 EP 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-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST ITGB3 500/4885ITGAV 478/4885ITGA2B 534/4885

“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.