SCHEMBL18930558

SCHEMBL18930558

COC(=O)NC(CCSC)C(=O)C(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CTSS P25774 1/20 0.48
▸ CTSK P43235 1/20 0.48
▸ MAPK1 P28482 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ CYP2C9 P11712 1/20 0.38
▸ CA2 P00918 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HPGD P15428 1/20 0.36
▸ ATM Q13315 1/20 0.36

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
SCHEMBL14930706 0.84 CTSS (0.35) CTSSCTSKMAPK1GAAUSP2
SCHEMBL20078588 0.83 CTSS (0.40) CTSSCTSKMAPK1GAAALDH1A1
SCHEMBL9972470 0.81 CTSS (0.44) CTSSCTSKMAPK1GAAALDH1A1
SCHEMBL1983218 0.81 MAPK1 (0.54) CTSSCTSKMAPK1ALDH1A1USP2
SCHEMBL5990092 0.81 CTSS (0.44) CTSSCTSKMAPK1GAAALDH1A1
SCHEMBL12598695 0.81 CTSK (0.44) CTSSCTSKCA2
SCHEMBL3265338 0.81 CTSS (0.44) CTSSCTSKMAPK1GAAALDH1A1
SCHEMBL28501721 0.81 ALDH1A1 (0.56) GAAALDH1A1L3MBTL1USP2CYP2C9
SCHEMBL1983219 0.81 MAPK1 (0.54) CTSSCTSKMAPK1ALDH1A1USP2
SCHEMBL7878136 0.79 CTSS (0.43) CTSSCTSKMAPK1GAAALDH1A1

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-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 — — US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 — — 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS CTSS 445/4885CTSK 632/4885MAPK1 2093/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CTSS 445/4885CTSK 632/4885MAPK1 2093/4885

“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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