SCHEMBL18930362

SCHEMBL18930362

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nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.39
CTSK P43235 1/20 0.39
PSENEN Q9NZ42 1/20 0.36
ALDH1A1 P00352 2/20 0.33
CA2 P00918 1/20 0.31
HTT P42858 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TAS1R3 Q7RTX0 1/20 0.30
TAS1R1 Q7RTX1 1/20 0.30
CTSL P07711 1/20 0.30
CTSB P07858 1/20 0.30
TYR P14679 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
NOS3 P29474 1/20 0.30
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30

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
SCHEMBL12018403 0.84 ALDH1A1 (0.43) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL5988691 0.84 ALDH1A1 (0.43) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL3265293 0.84 ALDH1A1 (0.43) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL13223902 0.80 CTSS (0.46) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL19318524 0.80 CTSS (0.46) CTSSCTSKPSENENALDH1A1CA2
SCHEMBL12672832 0.75 ALDH1A1 (0.41) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL18931312 0.75 ALDH1A1 (0.41) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL16440334 0.73 ALDH1A1 (0.42) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL18870810 0.73 ALDH1A1 (0.42) CTSSCTSKPSENENALDH1A1HTT
SCHEMBL204043 0.71 ALDH1A1 (0.61) CTSSCTSKALDH1A1CA2MEN1

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 632/4885PSENEN 4172/4885
US-10039754-B2 Anti-viral compounds HAVCR2, EIF2AK2, MAVS CTSS 445/4885CTSK 632/4885PSENEN 4172/4885

“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.