SCHEMBL1137524

SCHEMBL1137524

Cc1cn(Cc2ccc3ccccc3c2)c2c(/C=C/C(=O)O)cccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGER3 P43115 10/20 0.52
▸ PTGER4 P35408 2/20 0.52
▸ PTGER2 P43116 2/20 0.52
▸ PTGDR Q13258 2/20 0.52
▸ TBXA2R P21731 1/20 0.52
▸ PTGFR P43088 1/20 0.52
▸ PTGER1 P34995 1/20 0.50
▸ PTGIR P43119 1/20 0.50
▸ PDE4A P27815 2/20 0.42
▸ PDE4B Q07343 2/20 0.42
▸ PDE4C Q08493 2/20 0.42
▸ PDE4D Q08499 2/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41

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
SCHEMBL1137528 1.00 PTGER3 (0.52) PTGER3PTGER4PTGER2PTGDRTBXA2R
SCHEMBL2884659 0.81 PTGER3 (0.62) PTGER3PTGER4PTGER2PTGDRTBXA2R
SCHEMBL2884663 0.81 PTGER3 (0.62) PTGER3PTGER4PTGER2PTGDRTBXA2R
SCHEMBL13674106 0.78 PTGER3 (0.75) PTGER3PTGER4PTGER2PTGER1PTGIR
SCHEMBL13607679 0.78 PTGER3 (0.83) PTGER3PTGER4PTGER2PTGER1PTGIR
SCHEMBL1137742 0.76 PTGER3 (0.66) PTGER3PTGER4PTGER2PTGDRTBXA2R
SCHEMBL1137738 0.76 PTGER3 (0.66) PTGER3PTGER4PTGER2PTGDRTBXA2R
SCHEMBL13020377 0.75 HDAC3 (0.61) PTGER3PTGER4PTGER2PTGDRTBXA2R
SCHEMBL8081491 0.71 HDAC1 (0.54) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL1553512 0.70 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DHDAC1

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-1812388-B1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2011-02-23 — — EP disclosed
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS EHF (IS) 2009-11-26 — — US disclosed
US-7598397-B2 Sulfonamide peri-substituted bicyclics for occlusive artery disease DECODE GENETICS EHF (IS) 2009-10-06 — — US disclosed
EP-1812388-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE Decode Genetics (US) 2007-08-01 — — EP disclosed
WO-2006044000-A1 SULFONAMIDE PERT-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE DECODE GENETICS (US) 2006-04-27 — — WO disclosed
US-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease SAGA INVESTMENTS LLC 2006-04-13 — — 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 (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-20060079520-A1 Sulfonamide peri-substituted bicyclics for occlusive artery disease PTGIS, PTGIR, PTGS2 PTGER3 19/4885PTGER4 21/4885PTGER2 18/4885
US-20090291948-A1 SULFONAMIDE PERI-SUBSTITUTED BICYCLICS FOR OCCLUSIVE ARTERY DISEASE PTGIS, PTGIR, PTGS2 PTGER3 19/4885PTGER4 21/4885PTGER2 18/4885

“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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