SCHEMBL17038010

SCHEMBL17038010

BC1=CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.46
NR1H2 P55055 2/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GPR119 Q8TDV5 3/20 0.40
ADORA1 P30542 1/20 0.39
KDM4E B2RXH2 1/20 0.39
THRB P10828 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39

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
SCHEMBL19013480 0.83 USP2 (0.42) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL18556946 0.82 ESR2 (0.50) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL12519920 0.82 ESR2 (0.47) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL25342701 0.81 ESR2 (0.49) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL30262739 0.81 ESR2 (0.46) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL28060814 0.81 ESR2 (0.46) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL6216656 0.79 NR1H2 (0.47) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL2270068 0.79 ESR2 (0.45) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL6667095 0.79 ESR2 (0.45) ESR2NR1H2MAPK1USP2SMN1; SMN2
SCHEMBL29333593 0.79 ESR2 (0.48) ESR2NR1H2MAPK1USP2SMN1; SMN2

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
EP-2688890-B1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADVINUS THERAPEUTICS LTD (IN) 2017-08-30 EP disclosed
WO-2017106352-A1 CAFFEINE INHIBITORS OF MTHFD2 AND USES THEREOF RAZE THERAPEUTICS, INC. (US) 2017-06-22 WO disclosed
US-9593115-B2 Substituted fused tricyclic compounds, compositions, and medicinal applications thereof ADVINUS THERAPEUTICS LTD. 2017-03-14 US disclosed
US-9593115-B2 Substituted fused tricyclic compounds, compositions, and medicinal applications thereof ADVINUS THERAPEUTICS LTD. 2017-03-14 US disclosed
US-20150239886-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-27 US disclosed
US-20150239886-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2015-08-27 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-20150239886-A1 SUBSTITUTED FUSED TRICYCLIC COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF JAK1, MALT1, JAK2 ESR2 1164/4885NR1H2 1404/4885MAPK1 692/4885

“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.