SCHEMBL7217644

SCHEMBL7217644

COC(=O)C[N+]1(CC(=O)NC(CC(=O)[O-])NC(=O)OCc2ccccc2)C(=O)CNC1=O

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.36
CASP1 P29466 4/20 0.36
ALDH1A1 P00352 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
TSHR P16473 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 1/20 0.36
CYP2D6 P10635 1/20 0.36
LMNA P02545 1/20 0.35
ATM Q13315 1/20 0.35
TRPM8 Q7Z2W7 1/20 0.35
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
REN P00797 1/20 0.34

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
SCHEMBL7212579 0.92 CTSL (0.38) CTSLCASP1ALDH1A1CYP1A2
SCHEMBL7974938 0.88 CASP1 (0.36) CTSLCASP1
SCHEMBL7211516 0.83 CASP1 (0.35) CTSLCASP1
SCHEMBL7217701 0.82 SYK (0.42) POLB
SCHEMBL7211505 0.82 ITGB3 (0.42) CTSLCASP1ALDH1A1CYP3A4CYP2C9
SCHEMBL7216491 0.80 ITGB3 (0.40) ALDH1A1CYP3A4CYP2C9CYP2C19CYP1A2
SCHEMBL7211291 0.78 SYK (0.39) CTSLPOLB
SCHEMBL7217673 0.78 ALOX15 (0.31) ALOX15
SCHEMBL7216436 0.77 ITGB3 (0.39)
SCHEMBL7217675 0.76 CASP1 (0.39) CTSLCASP1

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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors WEHNER VOLKMAR (DE) 2001-09-13 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

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-20010021708-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CTSL 761/4885CASP1 2981/4885ALDH1A1 4551/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CTSL 761/4885CASP1 2981/4885ALDH1A1 4551/4885

“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.