SCHEMBL16245000

SCHEMBL16245000

CCc1c(-c2ccc(C(C)(C)O)cc2)n(S(=O)(=O)c2ccc(C)cc2)c2ncc3cnn(C)c3c12

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.32
▸ SYK P43405 2/20 0.32
▸ ALDH3A1 P30838 1/20 0.31
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ CXCL8 P10145 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ NOD2 Q9HC29 1/20 0.30
▸ NOD1 Q9Y239 1/20 0.30
▸ NR1H2 P55055 1/20 0.30
▸ NR1H3 Q13133 1/20 0.30
▸ AGTR1 P30556 1/20 0.30
▸ LGMN Q99538 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
SCHEMBL2318609 0.88 MAPT (0.41) PTGDR2ALDH1A1HTTMEN1KMT2A
SCHEMBL2318721 0.85 MTOR (0.34) PTGDR2ALDH3A1CXCL8GAANOD2
SCHEMBL2317810 0.84 ALDH1A1 (0.36) SYKALDH1A1HTTHSD17B10MEN1
SCHEMBL16245259 0.84 PIK3CA (0.37) ALDH1A1HPGDHSD17B10MEN1KMT2A
SCHEMBL2316443 0.83 ESRRG (0.38) ALDH1A1HTT
SCHEMBL2317311 0.83 EED (0.34) ALDH3A1NOD2NOD1LGMN
SCHEMBL16245234 0.82 NR1H3 (0.36) SYKALDH3A1ALDH1A1NPSR1NR1H2
SCHEMBL1932784 0.81 PTGDR2 (0.34) PTGDR2ALDH3A1ALDH1A1HPGDHTT
SCHEMBL2317026 0.80 KDM4E (0.42) ALDH1A1MEN1KMT2ANPSR1GAA
SCHEMBL2318630 0.80 CD274 (0.46) ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC. (US) 2014-11-27 — — 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-20140349970-A1 NOVEL TRICYCLIC COMPOUNDS CCNI, IL2, IL4I1 PTGDR2 237/4885SYK 1996/4885ALDH3A1 453/4885

“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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