SCHEMBL3591795

SCHEMBL3591795

O=C(O)CCOCCc1cccc(Cl)c1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.46
PNMT P11086 1/20 0.42
CTSG P08311 1/20 0.41
CMA1 P23946 1/20 0.41
IDO1 P14902 2/20 0.41
PTGER1 P34995 2/20 0.41
PTGER4 P35408 2/20 0.41
PTGER3 P43115 2/20 0.41
PTGER2 P43116 2/20 0.41
KMT2A Q03164 1/20 0.40
FFAR1 O14842 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TSHR P16473 1/20 0.40
AKR1B1 P15121 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
PTPRC P08575 1/20 0.39
PTPRG P23470 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
SCHEMBL3583105 0.87 FFAR1 (0.48) TAAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL3897629 0.86 KMT2A (0.49) TAAR1PNMTCTSGCMA1IDO1
SCHEMBL4699564 0.83 TAAR1 (0.55) TAAR1PNMTCTSGCMA1PTGER1
SCHEMBL3584354 0.82 AKR1B1 (0.52) TAAR1PTGER1PTGER4PTGER3PTGER2
SCHEMBL13225833 0.80 TAAR1 (0.40) TAAR1PNMTCTSGCMA1IDO1
SCHEMBL1694578 0.80 TAAR1 (0.52) TAAR1PNMTCTSGCMA1IDO1
SCHEMBL5846778 0.79 TAAR1 (0.50) TAAR1PNMTCTSGCMA1KMT2A
SCHEMBL47779 0.77 TAAR1 (0.52) TAAR1PNMTCTSGCMA1IDO1
SCHEMBL14609134 0.76 TAAR1 (0.47) TAAR1PNMTCTSGCMA1IDO1
SCHEMBL2828625 0.76 NR4A2 (0.50) IDO1FFAR1CXCL8FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-20100210688-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2010-08-19 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-7709511-B2 Benzothiazolone derivatives ASTRAZENECA AB (SE) 2010-05-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
US-20080300275-A1 Novel Benzothiazolone Derivatives ASTRAZENECA AB (SE) 2008-12-04 US disclosed
EP-1915354-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES AstraZeneca AB (SE) 2008-04-30 EP disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 WO disclosed
WO-2007018461-A1 NOVEL BENZOTHIAZOLONE DERIVATIVES ASTRAZENECA AB (SE) 2007-02-15 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 (2 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-20080300275-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TAAR1 806/4885PNMT 2431/4885CTSG 3600/4885
US-20100210688-A1 Novel Benzothiazolone Derivatives NR0B1, RB1, CCND1 TAAR1 806/4885PNMT 2431/4885CTSG 3600/4885

“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.