SCHEMBL14865102

SCHEMBL14865102

CCC(=O)C(CCSC)NC(=O)OC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.43
CTSS P25774 1/20 0.43
CTSK P43235 1/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.39
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.38
HTT P42858 1/20 0.37
LMNA P02545 1/20 0.37
USP2 O75604 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C19 P33261 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 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
SCHEMBL20643810 1.00 L3MBTL1 (0.43) L3MBTL1CTSSCTSKALDH1A1CYP2C9
SCHEMBL17210535 0.83 SMN1; SMN2 (0.42) L3MBTL1CTSSCTSKALDH1A1CYP2C9
SCHEMBL1983218 0.82 MAPK1 (0.54) CTSSCTSKALDH1A1MAPK1LMNA
SCHEMBL3265338 0.82 CTSS (0.44) L3MBTL1CTSSCTSKALDH1A1CYP2C9
SCHEMBL9972470 0.82 CTSS (0.44) L3MBTL1CTSSCTSKALDH1A1CYP2C9
SCHEMBL25132176 0.82 ALDH1A1 (0.39) L3MBTL1ALDH1A1MAPK1GAALMNA
SCHEMBL28501721 0.82 ALDH1A1 (0.56) L3MBTL1ALDH1A1CYP2C9GAAHTT
SCHEMBL1983219 0.82 MAPK1 (0.54) CTSSCTSKALDH1A1MAPK1LMNA
SCHEMBL5990092 0.82 CTSS (0.44) L3MBTL1CTSSCTSKALDH1A1CYP2C9
SCHEMBL12175194 0.82 CTSK (0.40) CTSSCTSKTAS1R3TAS1R1CYP3A4

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
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
EP-2368890-B9 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-10-30 EP disclosed
EP-2368890-B1 Hepatitis C virus inhibitors ABBVIE BAHAMAS LTD (BS) 2013-04-17 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-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885CTSS 445/4885CTSK 632/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS L3MBTL1 2364/4885CTSS 445/4885CTSK 632/4885

“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.