SCHEMBL5225716

SCHEMBL5225716

COC(=O)CCC(=O)c1c[nH]c2ccc(Br)cc12

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.67
MTNR1A P48039 1/20 0.53
MTNR1B P49286 1/20 0.53
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRA3 P34903 1/20 0.52
GABRB2 P47870 1/20 0.52
LMNA P02545 2/20 0.50
RAB9A P51151 2/20 0.50
MEN1 O00255 1/20 0.50
MITF O75030 1/20 0.50
MAPT P10636 1/20 0.50
KMT2A Q03164 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CTNNB1 P35222 1/20 0.48
WNT3A P56704 1/20 0.48
SPR P35270 1/20 0.46

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
SCHEMBL15636289 0.89 NR4A2 (0.70) NR4A2MTNR1AMTNR1BGABRA1GABRB1
SCHEMBL8260360 0.84 NOTUM (0.53) NR4A2MTNR1AMTNR1BLMNARAB9A
SCHEMBL5220143 0.84 NR4A2 (0.67) NR4A2MTNR1AMTNR1BGABRA1GABRB1
SCHEMBL5067961 0.83 ADAM17 (0.64) NR4A2MTNR1AMTNR1BGABRA1GABRB1
SCHEMBL2807419 0.83 GPR84 (0.54) NR4A2LMNARAB9AMEN1MITF
SCHEMBL6487290 0.82 NR4A2 (0.51) NR4A2MTNR1AMTNR1BGABRA1GABRB1
SCHEMBL5222554 0.81 CTNNB1 (0.71) NR4A2GABRA1GABRB2LMNARAB9A
SCHEMBL25305901 0.80 NR4A2 (0.64) NR4A2MTNR1AMTNR1BGABRA1GABRB1
SCHEMBL30457500 0.80 NR4A2 (0.64) NR4A2MTNR1AMTNR1BGABRA1GABRB1
SCHEMBL31435646 0.80 NR4A2 (1.00) NR4A2MTNR1AMTNR1BGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1618094-B1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INST FOR PHARM DISCOVERY INC (US) 2007-09-05 EP disclosed
EP-1618094-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES The Institutes for Pharmaceutical Discovery, LLC (US) 2006-01-25 EP disclosed
US-20050009817-A1 Substituted heteroaryls INSTITUTES FOR PHARMACEUTICAL DISCOVERY, L.L.C. 2005-01-13 US disclosed
WO-2004099159-A1 SUBSTITUTED HETEROARYLS AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC (US) 2004-11-18 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 (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-20050009817-A1 Substituted heteroaryls PTPRS, PTPRO, PTPRR NR4A2 4086/4885MTNR1A 624/4885MTNR1B 210/4885

“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.