SCHEMBL7215503

SCHEMBL7215503

O=C(NC(CCO)C(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.54
TACR1 P25103 2/20 0.54
TYR P14679 1/20 0.54
CTRB1 P17538 2/20 0.54
CTSS P25774 4/20 0.53
CTSL P07711 3/20 0.53
CTSB P07858 2/20 0.53
IDO1 P14902 1/20 0.53
CASP1 P29466 1/20 0.52
ALDH1A1 P00352 1/20 0.52
ALOX15 P16050 1/20 0.52
KYNU Q16719 1/20 0.51

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
SCHEMBL6059278 1.00 CTSK (0.54) CTSKTACR1TYRCTRB1CTSS
SCHEMBL1068617 0.91 KYNU (0.62) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL18405554 0.91 CTSL (0.56) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL1111097 0.91 KYNU (0.62) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL1068619 0.91 KYNU (0.62) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL376362 0.91 PPARA (0.55) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL1111208 0.91 PPARA (0.55) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL1111209 0.91 PPARA (0.55) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL19659180 0.90 HDAC1 (0.55) CTSKTACR1CTRB1CTSSCTSL
SCHEMBL18366279 0.90 HDAC1 (0.55) CTSKTACR1CTRB1CTSSCTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113195455-A Herbicidal cinnolinium compounds 先正达农作物保护股份公司 2021-07-30 CN disclosed
WO-2017165416-A1 PROTECTED DERIVATIVES OF 2-AMINO-4-PHOSPHOBUTANOIC ACID AGENUS INC. (US) 2017-09-28 WO disclosed
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-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
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 (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 CTSK 700/4885TACR1 35/4885TYR 4280/4885
US-20020119999-A1 Novel inhibitors of bone reabsorption and antagonists of vitronectin receptors ADGRF1, CALCR, SOST CTSK 700/4885TACR1 35/4885TYR 4280/4885

“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.