SCHEMBL16861908

SCHEMBL16861908

O[C@H](CCC(F)(F)F)c1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.68
LMNA P02545 1/20 0.50
KDM4E B2RXH2 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
AOC3 Q16853 5/20 0.45
HTR1A P08908 1/20 0.41
HSD11B1 P28845 1/20 0.40
BCAT2 O15382 1/20 0.40

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
SCHEMBL12847277 1.00 RIPK1 (0.68) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5609128 0.94 RIPK1 (0.60) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5185803 0.81 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3081755 0.81 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL22624001 0.81 RIPK1 (1.00) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL22623858 0.81 RIPK1 (1.00) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL5865833 0.80 LMNA (0.52) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL11137800 0.79 HRH1 (0.52) RIPK1LMNAHTR1A
SCHEMBL16423912 0.79 RIPK1 (0.44) RIPK1
SCHEMBL13308400 0.79 HSD11B1 (0.49) RIPK1HSD11B1

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
EP-3466949-A1 TRICYCLIC COMPOUND AS ANTICANCER AGENTS Bristol-Myers Squibb Company (US) 2019-04-10 EP disclosed
US-10112941-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2018-10-30 US disclosed
EP-3087071-B1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2018-09-05 EP disclosed
US-20170327498-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2017-11-16 US disclosed
US-9751879-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-05 US disclosed
US-20160326173-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2016-11-10 US disclosed
US-20160318928-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL MYERS SQUIBB CO (US) 2016-11-03 US disclosed
EP-3087071-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS Bristol-Myers Squibb Company (US) 2016-11-02 EP disclosed
US-9458156-B2 Tricyclic compounds as anticancer agents BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-04 US disclosed
US-20160176864-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY 2016-06-23 US disclosed
WO-2015100282-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-07-02 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 (5 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-20160318928-A1 TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, TOP2A RIPK1 4162/4885LMNA 867/4885KDM4E 1945/4885
US-20160326173-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 RIPK1 3131/4885LMNA 1318/4885KDM4E 2234/4885
US-20160176864-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 RIPK1 3131/4885LMNA 1318/4885KDM4E 2234/4885
US-10112941-B2 Tricyclic compounds as anticancer agents TP53, TK2, TOP2A RIPK1 4060/4885LMNA 1027/4885KDM4E 2036/4885
US-20170327498-A1 NOVEL TRICYCLIC COMPOUNDS AS ANTICANCER AGENTS TP53, TK2, MCL1 RIPK1 3131/4885LMNA 1318/4885KDM4E 2234/4885

“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.