SCHEMBL1505749

SCHEMBL1505749

CC(C)c1c(P)c(-c2ccccc2C2CCCCC2)c(C2CCCCC2)c(C(C)C)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.39
▸ PTPN1 P18031 2/20 0.35
▸ PTPRC P08575 1/20 0.35
▸ PTPRF P10586 1/20 0.35
▸ CDC25B P30305 1/20 0.35
▸ ADRA2A P08913 2/20 0.32
▸ ADRA2B P18089 2/20 0.32
▸ ADRA2C P18825 2/20 0.32
▸ TSHR P16473 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ BCHE P06276 1/20 0.31
▸ ACHE P22303 1/20 0.31
▸ PTPN5 P54829 2/20 0.31
▸ PTPN2 P17706 1/20 0.31

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
SCHEMBL1505612 0.91 PTGS2 (0.40) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL1963482 0.84 PTGS2 (0.39) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL29073846 0.73 PTGS2 (0.41) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL29644614 0.72 PTPN1 (0.38) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL5379529 0.72 PTPN1 (0.35) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL10713148 0.69 HTR1A (0.38) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL4476575 0.69 PTGS2 (0.56) PTGS2PTPN1PTPRCPTPRFCDC25B
SCHEMBL8754990 0.68 PTGS2 (0.43) PTGS2PTPN1PTPRCPTPRFCDC25B
Phosphine SCHEMBL1505614 0.68 POLB (0.34) PTPN1PTPRCPTPRFCDC25BL3MBTL1
SCHEMBL161475 0.68 ROCK2 (0.43) —

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
US-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2012-04-26 — — US disclosed
WO-2011024004-A1 HETEROCYCLIC UREA DERIVATIVES USEFUL FOR TREATMENT OF BACTERIAL INFECTION ASTRAZENECA AB (SE) 2011-03-03 — — WO disclosed
EP-2262801-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 AstraZeneca AB (SE) 2010-12-22 — — EP disclosed
WO-2009106885-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 ASTRAZENECA AB (SE) 2009-09-03 — — 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-20120101100-A1 HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 UROD, UMPS, SLC14A1 PTGS2 1659/4885PTPN1 4375/4885PTPRC 4752/4885

“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.

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