SCHEMBL17244777

SCHEMBL17244777

CC(C)(C)OC(=O)NCCCCC(C=O)NC(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 7/20 0.43
▸ MAPT P10636 4/20 0.42
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ GAA P10253 1/20 0.41
▸ IDO1 P14902 1/20 0.41
▸ CTSL P07711 1/20 0.40
▸ CTSB P07858 1/20 0.40
▸ NPSR1 Q6W5P4 6/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ALDH1A1 P00352 1/20 0.39
▸ PAX8 Q06710 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ ACE P12821 1/20 0.38

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
SCHEMBL17244781 0.82 CA1 (0.47) CTSKMAPTMEN1KMT2ANPSR1
SCHEMBL16364941 0.80 CTSK (0.50) CTSKMAPTMEN1KMT2ACTSL
SCHEMBL699601 0.78 MAPT (0.61) CTSKMAPTCTSLCTSBPOLB
SCHEMBL12247705 0.78 MAPT (0.61) CTSKMAPTCTSLCTSBPOLB
SCHEMBL5276867 0.78 CTSK (0.48) CTSKCTSLCTSB
SCHEMBL906631 0.78 CTSK (0.48) CTSKCTSLCTSB
SCHEMBL3498473 0.77 CTSK (0.60) CTSKMEN1KMT2AGAATDP1
SCHEMBL3818710 0.77 CTSK (0.60) CTSKMEN1KMT2AGAATDP1
SCHEMBL18236363 0.77 CTSK (0.49) CTSKMAPTMEN1KMT2AGAA
SCHEMBL4821212 0.76 MAPT (0.66) CTSKMAPTCTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9382202-B2 Precursor for labeling therapeutic agent for liver cancer and method for manufacturing the same Atomic Energy Council—Institute of Nuclear Energy Research (TW) 2016-07-05 — — US disclosed
US-20150322005-A1 PRECURSOR FOR LABELING THERAPEUTIC AGENT FOR LIVER CANCER AND METHOD FOR MANUFACTURING THE SAME ATOMIC ENERGY COUNCIL-INSTITUTE OF NUCLEAR ENERGY RESEARCH (TW) 2015-11-12 — — 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 (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-20150322005-A1 PRECURSOR FOR LABELING THERAPEUTIC AGENT FOR LIVER CANCER AND METHOD FOR MANUFACTURING THE SAME FABP1, LIPC, HCCS CTSK 1910/4885MAPT 4151/4885MEN1 542/4885

“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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