SCHEMBL12018403

SCHEMBL12018403

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
CTSS P25774 2/20 0.42
CTSK P43235 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.38
HTT P42858 2/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
POLB P06746 2/20 0.36
TYR P14679 2/20 0.36
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
MAPT P10636 1/20 0.35
MMP1 P03956 1/20 0.34

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
SCHEMBL3265293 1.00 ALDH1A1 (0.43) ALDH1A1CTSSCTSKL3MBTL1HTT
SCHEMBL5988691 1.00 ALDH1A1 (0.43) ALDH1A1CTSSCTSKL3MBTL1HTT
SCHEMBL12672832 0.89 ALDH1A1 (0.41) ALDH1A1CTSSCTSKL3MBTL1HTT
SCHEMBL18931312 0.89 ALDH1A1 (0.41) ALDH1A1CTSSCTSKL3MBTL1HTT
SCHEMBL18930362 0.84 CTSS (0.39) ALDH1A1CTSSCTSKL3MBTL1HTT
SCHEMBL6469 0.84 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1TYR
SCHEMBL17772168 0.84 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1TYR
SCHEMBL1806573 0.84 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1TYR
SCHEMBL15585678 0.84 ALDH1A1 (0.61) ALDH1A1CTSSCTSKL3MBTL1TYR
SCHEMBL8234437 0.84 ALDH1A1 (0.43) ALDH1A1CTSSCTSKL3MBTL1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230285378-A1 Anti-Viral Compounds ABBVIE INC. (US) 2023-09-14 US disclosed
US-10407445-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2019-09-10 US disclosed
US-20190015402-A1 Anti-Viral Compounds ABBVIE INC. (US) 2019-01-17 US disclosed
US-10039754-B2 Anti-viral compounds ABBVIE INC. (US) 2018-08-07 US disclosed
US-10028937-B2 Anti-viral compounds ABBVIE INC. (US) 2018-07-24 US disclosed
US-20170157104-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-20170157105-A1 Anti-Viral Compounds ABBVIE INC. (US) 2017-06-08 US disclosed
US-9586978-B2 Anti-viral compounds ABBVIE INC. (US) 2017-03-07 US disclosed
US-9278922-B2 Anti-viral compounds ABBVIE INC. (US) 2016-03-08 US disclosed
US-20120220562-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2012-08-30 US disclosed
US-20100267634-A1 Anti-Viral Compounds Abbott Labaoratories (US) 2010-10-21 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 (9 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-20100267634-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-10028937-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-20230285378-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-10407445-B2 Hepatitis C virus inhibitors HAVCR2, SLC10A1, EIF2AK2 ALDH1A1 343/4885CTSS 590/4885CTSK 944/4885
US-20120220562-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-20170157105-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-20170157104-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-20190015402-A1 Anti-Viral Compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 445/4885CTSK 632/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS ALDH1A1 2858/4885CTSS 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.