SCHEMBL5084496

SCHEMBL5084496

COC(=O)C(Br)c1cccs1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.43
TACR3 P29371 1/20 0.43
ALOX5 P09917 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KEAP1 Q14145 1/20 0.42
TSHR P16473 2/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 4/20 0.39
KDM4E B2RXH2 2/20 0.39
LMNA P02545 2/20 0.38
TP53 P04637 2/20 0.38
POLB P06746 1/20 0.38
THRB P10828 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
F9 P00740 1/20 0.37

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
SCHEMBL22170036 0.83 ALOX5 (0.39) HPGDTACR3ALOX5CES2CES1
SCHEMBL3173895 0.83 ALOX5 (0.41) HPGDALOX5CES2CES1KEAP1
SCHEMBL2821064 0.81 HPGD (0.45) HPGDTACR3ALOX5CES2CES1
SCHEMBL2370589 0.80 HPGD (0.55) HPGDTACR3ALOX5CES2CES1
SCHEMBL9000694 0.80 CES2 (0.56) HPGDTACR3ALOX5CES2CES1
SCHEMBL12895886 0.80 HPGD (0.55) HPGDTACR3ALOX5CES2CES1
SCHEMBL8237520 0.80 HPGD (0.44) HPGDTACR3ALOX5CES2CES1
SCHEMBL11666936 0.79 ALOX5 (0.46) HPGDALOX5CES2CES1KEAP1
SCHEMBL202116 0.79 ALOX5 (0.46) HPGDTACR3ALOX5CES2CES1
SCHEMBL6703331 0.79 HPGD (0.43) HPGDTACR3ALOX5CES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183239-B2 Substituted piperazines and piperidines as modulators of the neuropeptide Y2 receptor JANSSEN PHARMACEUTICA NV (BE) 2012-05-22 US disclosed
EP-1948629-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2008-07-30 EP disclosed
WO-2007053436-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-10 WO disclosed
US-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR JANSSEN PHARMACEUTICA N.V. (BE) 2007-05-03 US disclosed
EP-0623120-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1994-11-09 EP disclosed
WO-1993014077-A1 PIPERIDINEACETIC ACID DERIVATIVES AS INHIBITORS OF FIBRINOGEN-DEPENDENT BLOOD PLATELET AGGREGATION GLAXO GROUP LIMITED (GB) 1993-07-22 WO disclosed
EP-0045165-B1 RHODANINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION, AND ALDOSE REDUCTASE INHIBITORS CONTAINING SUCH DERIVATIVES ONO PHARMACEUTICAL CO., LTD. (JP) 1986-03-12 EP disclosed
US-4446143-A Rhodanine derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1984-05-01 US disclosed
EP-0045165-A1 Rhodanine derivatives, a process for their preparation, and aldose reductase inhibitors containing such derivatives ONO PHARMACEUTICAL CO., LTD. (JP) 1982-02-03 EP 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-20070100141-A1 SUBSTITUTED PIPERAZINES AND PIPERIDINES AS MODULATORS OF THE NEUROPEPTIDE Y2 RECEPTOR NPY2R, NPY5R, NPY4R HPGD 3636/4885TACR3 485/4885ALOX5 2905/4885

“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.