SCHEMBL7216435

SCHEMBL7216435

CC1(c2ccc(C#N)cc2)NC(=O)N(CCC(NC(=O)OCc2ccccc2)C(=O)O)C1=O

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.45
CTSL P07711 4/20 0.43
CTSS P25774 4/20 0.43
CTSB P07858 3/20 0.43
CTSK P43235 3/20 0.43
KCNH2 Q12809 1/20 0.43
GAA P10253 1/20 0.42

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 0.82 ITGB3 (0.52)
Acetic Acid SCHEMBL7216501 0.81 KMT2A (0.42) ALDH1A1CTSLGAA
SCHEMBL7217839 0.79 ITGB3 (0.48) ALDH1A1
SCHEMBL7960953 0.76 CTSL (0.43) CTSLCTSSCTSBCTSK
SCHEMBL11373846 0.73 ITGB3 (0.58) CTSLCTSSCTSBCTSK
SCHEMBL7983192 0.73 ITGB3 (0.58)
SCHEMBL7983179 0.73 ITGB3 (0.58)
SCHEMBL18920606 0.73 TACR1 (0.66) CTSLCTSSCTSBCTSK
SCHEMBL8438830 0.73 TACR1 (0.66) CTSLCTSSCTSBCTSK
SCHEMBL8234111 0.73 TACR1 (0.66) CTSLCTSSCTSBCTSK

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 4 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
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 ALDH1A1 4551/4885CTSL 761/4885CTSS 855/4885

“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.