SCHEMBL3176376

SCHEMBL3176376

Cc1cc(C(=O)O)nn1Cc1csc2ccc(Cl)cc12

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 2/20 0.59
PTGER1 P34995 7/20 0.54
KEAP1 Q14145 1/20 0.53
NFE2L2 Q16236 1/20 0.53

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
SCHEMBL3178992 0.87 SLC22A12 (0.53) SLC22A12PTGER1KEAP1NFE2L2
SCHEMBL6405032 0.83 SLC22A12 (0.54) SLC22A12KEAP1NFE2L2
SCHEMBL15880425 0.78 PTGER1 (0.64) PTGER1
SCHEMBL3176760 0.76 PTGER1 (0.48) SLC22A12PTGER1
Hydrochloric Acid SCHEMBL3178760 0.75 PTGER1 (0.49) SLC22A12PTGER1
SCHEMBL11977238 0.74 SLC22A12 (1.00) SLC22A12KEAP1NFE2L2
SCHEMBL11976699 0.74 SLC22A12 (1.00) SLC22A12KEAP1NFE2L2
SCHEMBL14289878 0.74 PTGER1 (0.61) PTGER1
SCHEMBL14289930 0.73 PTGER1 (0.60) PTGER1
SCHEMBL14289965 0.73 PTGER1 (0.72) PTGER1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100022486-A1 COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2010-01-28 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 (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 681/4885KEAP1 1417/4885

“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.