SCHEMBL17946059

SCHEMBL17946059

CCCCC(=O)N(Cc1ccc(-c2ccccc2C(C)=O)cc1)[C@H](C(=O)O)C(C)C

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 14/20 0.69
AGTR1 P30556 8/20 0.66
ABCB11 O95342 1/20 0.66
GP6 Q9HCN6 1/20 0.66

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
SCHEMBL2365 0.93 LTB4R2 (0.80) LTB4R2AGTR1ABCB11GP6
SCHEMBL2364 0.93 LTB4R2 (0.80) LTB4R2AGTR1ABCB11GP6
SCHEMBL683480 0.90 LTB4R2 (0.75) LTB4R2AGTR1ABCB11GP6
SCHEMBL25964113 0.89 LTB4R2 (0.66) LTB4R2AGTR1ABCB11GP6
SCHEMBL1639910 0.87 AGTR1 (0.68) LTB4R2AGTR1ABCB11GP6
SCHEMBL19342800 0.86 LTB4R2 (0.63) LTB4R2AGTR1ABCB11GP6
SCHEMBL12654453 0.86 AGTR1 (0.67) LTB4R2AGTR1ABCB11GP6
SCHEMBL683848 0.86 LTB4R2 (0.69) LTB4R2AGTR1ABCB11GP6
SCHEMBL23477438 0.86 LTB4R2 (0.61) LTB4R2AGTR1ABCB11GP6
SCHEMBL8295440 0.85 LTB4R2 (0.61) LTB4R2AGTR1ABCB11GP6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2018-01-04 US disclosed
US-9701647-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2017-07-11 US disclosed
US-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2017-05-11 US disclosed
US-9439888-B2 Tetrazolones as a carboxylic acid bioisosteres RIGEL PHARMACEUTICALS, INC. (US) 2016-09-13 US disclosed
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres MIDCAP FINANCIAL TRUST 2016-07-28 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 (3 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-20170129862-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 LTB4R2 1600/4885AGTR1 877/4885ABCB11 331/4885
US-20160213648-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 LTB4R2 1600/4885AGTR1 877/4885ABCB11 331/4885
US-20180002297-A1 Tetrazolones as a Carboxylic Acid Bioisosteres GLS, CYP11B2, GLS2 LTB4R2 1600/4885AGTR1 877/4885ABCB11 331/4885

“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.