SCHEMBL18150950

SCHEMBL18150950

COc1ccc(CN2C(=O)COC(C(=O)O)C2c2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 1/20 0.44
GSK3B P49841 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
BCHE P06276 1/20 0.41
ACHE P22303 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
KCNA5 P22460 1/20 0.41

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
SCHEMBL18151450 0.91 MEN1 (0.48) KMT2AMEN1ALDH1A1HSD17B10GSK3B
SCHEMBL10693699 0.88 MDM2 (0.43) KMT2AMEN1ALDH1A1
SCHEMBL18150873 0.84 MEN1 (0.50) KMT2AMEN1ALDH1A1HSD17B10GSK3B
SCHEMBL18159810 0.82 MEN1 (0.50) KMT2AMEN1ALDH1A1HSD17B10GSK3B
SCHEMBL18151549 0.82 MEN1 (0.50) KMT2AMEN1ALDH1A1HSD17B10GSK3B
SCHEMBL31444354 0.82 MEN1 (0.39) KMT2AMEN1ALDH1A1
SCHEMBL18150553 0.79 KMT2A (0.71) KMT2AMEN1ALDH1A1GSK3BLMNA
SCHEMBL15989605 0.77 MDM2 (0.51) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL15989606 0.77 MDM2 (0.51) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1
SCHEMBL15972180 0.77 MDM2 (0.51) KMT2AMEN1ALDH1A1HSD17B10L3MBTL1

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 13 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-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-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2018-06-28 US disclosed
EP-3288939-A1 TRICYCLIC MODULATORS OF TNF SIGNALING AbbVie Inc. (US) 2018-03-07 EP disclosed
US-9856253-B2 Tricyclic modulators of TNF signaling ABBVIE, INC. (US) 2018-01-02 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
US-20160304517-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. 2016-10-20 US disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO disclosed
WO-2016168641-A1 TRICYCLIC MODULATORS OF TNF SIGNALING ABBVIE INC. (US) 2016-10-20 WO 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 KMT2A 4542/4885MEN1 2587/4885ALDH1A1 1896/4885
US-10266532-B2 Tricyclic modulators of TNF signaling TNF, TNFRSF1A, CD40 KMT2A 4542/4885MEN1 2587/4885ALDH1A1 1896/4885
US-20180179198-A1 TRICYCLIC MODULATORS OF TNF SIGNALING TNF, TNFRSF1A, CD40 KMT2A 4542/4885MEN1 2587/4885ALDH1A1 1896/4885

“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.