SCHEMBL18159822

SCHEMBL18159822

O=S1(=O)CCN(c2ncc(-c3ccc4nc5n(c4c3)[C@@H](c3ccccc3)CC5)cn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.41
AOC3 Q16853 1/20 0.37
SLC6A9 P48067 12/20 0.35
RIPK1 Q13546 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
SCHEMBL29794831 1.00 TNF (0.41) TNFAOC3SLC6A9RIPK1
SCHEMBL18151733 0.87 TNF (0.40) TNFAOC3RIPK1
SCHEMBL29794997 0.87 AOC3 (0.43) TNFAOC3
SCHEMBL29987401 0.87 TNF (0.39) TNFAOC3RIPK1
SCHEMBL18151311 0.87 AOC3 (0.43) TNFAOC3
SCHEMBL23217722 0.87 TNF (0.39) TNFAOC3RIPK1
SCHEMBL16814754 0.87 AOC3 (0.43) TNFAOC3
SCHEMBL18151583 0.87 AOC3 (0.43) TNFAOC3
SCHEMBL18150682 0.86 TNF (0.38) TNFAOC3SLC6A9RIPK1
SCHEMBL18150951 0.83 TNF (0.38) TNFAOC3RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10266532-B2 Tricyclic modulators of TNF signaling ABBVIE INC. (US) 2019-04-23 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 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 (3 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-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885AOC3 4036/4885SLC6A9 4195/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 TNF 1/4885AOC3 4036/4885SLC6A9 4195/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 TNF 1/4885AOC3 4036/4885SLC6A9 4195/4885

“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.