SCHEMBL3414715

SCHEMBL3414715

CC(c1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.51
CTSS P25774 2/20 0.51
APP P05067 2/20 0.46
GABRB1 P18505 1/20 0.45
GABRB2 P47870 1/20 0.45
MAPT P10636 1/20 0.45
PPARA Q07869 2/20 0.45
PPARG P37231 1/20 0.45
ATM Q13315 1/20 0.45
MME P08473 1/20 0.45
ACE P12821 1/20 0.44

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
SCHEMBL4116995 1.00 CTSK (0.51) CTSKCTSSAPPGABRB1GABRB2
SCHEMBL14250689 1.00 CTSK (0.51) CTSKCTSSAPPGABRB1GABRB2
SCHEMBL844407 1.00 CTSK (0.51) CTSKCTSSAPPGABRB1GABRB2
SCHEMBL3379781 1.00 CTSK (0.51) CTSKCTSSAPPGABRB1GABRB2
SCHEMBL7857496 0.92 CTSK (0.48) CTSKCTSSAPPPPARAPPARG
SCHEMBL4686608 0.88 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL4686602 0.88 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL3375608 0.88 CTSK (0.49) CTSKCTSSGABRB1GABRB2MAPT
SCHEMBL2573117 0.88 CTSK (0.45) CTSKCTSSAPPPPARAPPARG
SCHEMBL1241183 0.87 CTSK (0.41) CTSKCTSSAPPPPARAPPARG

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
US-20240057599-A1 METHODS FOR IMPROVING FRUIT QUALITY THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2024-02-22 US disclosed
US-11812746-B2 Method of controlling fungal infections in plants THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2023-11-14 US disclosed
US-20200383327-A1 METHOD OF IMPROVING PLANT PERFORMANCE THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2020-12-10 US disclosed
US-20190246639-A1 METHOD OF CONTROLLING FUNGAL INFECTIONS IN PLANTS THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCHORGANIZATION (ARO) (VOLCANI CENTER) (IL) 2019-08-15 US disclosed
EP-3501546-A2 CYSTEINE DRUG CONJUGATES AND USE OF SAME Seattle Genetics, Inc. (US) 2019-06-26 EP disclosed
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 EP disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 US disclosed
US-20040121965-A1 Method of treating resistant tumors WYETH HOLDINGS CORPORATION (US) 2004-06-24 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-20040121965-A1 Method of treating resistant tumors SLC11A2, VHL, REN CTSK 964/4885CTSS 1444/4885APP 4577/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSK 1094/4885CTSS 1869/4885APP 4507/4885

“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.