SCHEMBL2090192

SCHEMBL2090192

CCC(C(=O)O)n1cc(/C=C(\C#N)C(=O)Cl)c2cc(Br)ccc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
APP P05067 1/20 0.36
SNCA P37840 1/20 0.36
SLC16A1 P53985 2/20 0.36
ATM Q13315 1/20 0.36
KDM4E B2RXH2 1/20 0.36
THRB P10828 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 2/20 0.34
ABCB1 P08183 1/20 0.34

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
SCHEMBL2090193 1.00 PTGDR2 (0.38) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2087962 0.89 PTGDR2 (0.47) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2087961 0.89 PTGDR2 (0.47) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2088336 0.88 PTGDR2 (0.48) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2088337 0.88 PTGDR2 (0.48) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2088024 0.86 ALDH1A1 (0.49) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2088022 0.86 ALDH1A1 (0.49) PTGDR2ALDH1A1LMNAAPPSNCA
SCHEMBL2087657 0.85 PTGDR2 (0.54) PTGDR2ALDH1A1SLC16A1KDM4ETHRB
SCHEMBL2087654 0.85 PTGDR2 (0.54) PTGDR2ALDH1A1SLC16A1KDM4ETHRB
SCHEMBL2087639 0.82 PTGDR2 (0.48) PTGDR2ALDH1A1LMNAAPPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897788-B2 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2011-03-01 US disclosed
US-20070208004-A1 Indol-1-yl-acetic acid derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-09-06 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-20070208004-A1 Indol-1-yl-acetic acid derivatives IDO1, IDO2, AANAT PTGDR2 2853/4885ALDH1A1 67/4885LMNA 1896/4885

“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.