SCHEMBL3379450

SCHEMBL3379450

CC(=O)Nc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ MAPT P10636 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ AKR1C3 P42330 1/20 0.43
▸ AKR1C1 Q04828 1/20 0.43
▸ FPR2 P25090 1/20 0.42
▸ HTT P42858 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NAPRT Q6XQN6 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL3379447 1.00 CTSS (0.48) CTSSCTSKSMN1; SMN2MAPTPOLB
SCHEMBL4688415 0.92 CTSS (0.50) CTSSCTSKFPR2CA12CA1
SCHEMBL4688423 0.92 CTSS (0.50) CTSSCTSKFPR2CA12CA1
SCHEMBL11574358 0.88 CTSS (0.47) CTSSCTSKMAPTALDH1A1FPR2
SCHEMBL11574507 0.86 CTSK (0.46) CTSSCTSKALDH1A1FPR2KMT2A
SCHEMBL11573213 0.86 CTSK (0.50) CTSSCTSKFPR2
SCHEMBL11573047 0.85 CTSS (0.48) CTSSCTSKSMN1; SMN2MAPTALDH1A1
SCHEMBL11872857 0.85 CTSS (0.45) CTSSCTSKMAPTALDH1A1FPR2
SCHEMBL11574050 0.85 CTSS (0.45) CTSSCTSKFPR2CA12CA1
SCHEMBL11876457 0.84 CTSS (0.47) CTSSCTSKALDH1A1L3MBTL1NAPRT

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
EP-1989186-B1 HYDANTOIN BASED KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2010-11-17 — — EP disclosed
US-7612212-B2 2-[(S)-2-((S)-2,5-dioxo-4-phenyl-imidazolidin-1-yl)-4-methyl-pentanoylamino]-thiazole-4-carboxylic acid methyl ester; mitogen activated protein/extracellular signal regulated kinase kinase inhibitor; anticarcinogenic agent, cognition activator, nervous and autoimmune system disorders HOFFMANN-LA ROCHE INC. (US) 2009-11-03 — — US disclosed
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS NIU HUIFENG 2008-08-28 — — US disclosed
US-20070197617-A1 Substituted hydantoins CHEN SHAOQING 2007-08-23 — — 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-20070197617-A1 Substituted hydantoins HNMT, HRH3, BRAF CTSS 1187/4885CTSK 1484/4885SMN1; SMN2 2176/4885
US-20080207563-A1 METHOD FOR INHIBITING PROLIFERATION OF TUMOR CELLS MKI67, BRAF, MYC CTSS 1869/4885CTSK 1094/4885SMN1; SMN2 4254/4885

“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.

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