SCHEMBL3177634

SCHEMBL3177634

Cc1cc(C(=O)O)nn1Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ SLC22A12 Q96S37 1/20 0.54
▸ PTGER1 P34995 10/20 0.53
▸ CYP1A2 P05177 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.48
▸ PTGER3 P43115 1/20 0.47
▸ MAPT P10636 1/20 0.47

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
SCHEMBL3180834 0.85 SLC22A12 (0.47) SLC22A12PTGER1CYP1A2TDP1MAPT
SCHEMBL14289931 0.85 P2RY14 (0.60) PTGER1CYP1A2
SCHEMBL13693106 0.83 PTGER1 (0.57) PTGER1CYP1A2
SCHEMBL29831330 0.81 P2RY14 (0.63) PTGER1CYP1A2
SCHEMBL13693179 0.79 PTGER1 (0.71) PTGER1CYP1A2
SCHEMBL1137143 0.79 PTGER1 (0.59) PTGER1CYP1A2
SCHEMBL4160947 0.77 PTGER1 (0.72) PTGER1PTGER3
SCHEMBL4683754 0.75 PTGER1 (0.78) PTGER1CYP1A2
SCHEMBL14289988 0.74 PTGER1 (0.58) PTGER1CYP1A2
SCHEMBL14289951 0.74 P2RY14 (0.52) PTGER1CYP1A2PTGER3MAPT

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
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 — — US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 — — US disclosed
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 — — US disclosed
EP-2106398-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE (SCD) SmithKline Beecham Corporation (US) 2009-10-07 — — EP disclosed
WO-2008074832-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — WO disclosed
WO-2008074832-A2 ISOQUINOLINECARBOXAMIDES AS INHIBITORS OF STEAROYL-COA DESATURASE ( SCD) SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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-20100022486-A1 COMPOUNDS SCD, CYP11B2, SCD5 SLC22A12 1443/4885PTGER1 681/4885CYP1A2 39/4885

“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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