SCHEMBL163450

SCHEMBL163450

COCCS(=O)(=O)c1ccc(CC(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 3/20 0.46
HPGD P15428 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LOX P28300 1/20 0.46
LMNA P02545 2/20 0.45
MEP1B Q16820 1/20 0.44
CA2 P00918 1/20 0.44
CAMK2A Q9UQM7 1/20 0.44
CA5A P35218 1/20 0.43
KDM4E B2RXH2 2/20 0.43
AKR1B1 P15121 1/20 0.42
KCNH2 Q12809 1/20 0.42
POLB P06746 1/20 0.42
ABCC4 O15439 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
PTGS1 P23219 1/20 0.42

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
SCHEMBL1128420 0.88 KCNH2 (0.51) HTTNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL16800876 0.85 LOX (0.48) HTTNPSR1ALDH1A1LOXCA2
SCHEMBL165901 0.83 ALDH1A1 (0.58) HTTNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL1018235 0.81 TSHR (0.56) HTTNPSR1ALDH1A1HSD17B10LOX
SCHEMBL10061269 0.81 CA2 (0.56) HTTNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL20300431 0.81 CA2 (0.50) HTTNPSR1ALDH1A1HPGDLOX
SCHEMBL165384 0.80 PSIP1 (0.57) HTTALDH1A1HPGDHSD17B10LMNA
SCHEMBL23193744 0.80 ALDH1A1 (0.64) HTTNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL9813436 0.79 HTT (0.62) HTTNPSR1ALDH1A1HPGDHSD17B10
SCHEMBL8521424 0.79 LOX (0.50) HTTNPSR1ALDH1A1HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210094940-A1 MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2021-04-01 US disclosed
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma VITAE PHARMACEUTICALS, LLC (US) 2020-11-10 US disclosed
US-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, LLC 2019-11-21 US disclosed
WO-2017132432-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA VITAE PHARMACEUTICALS, INC. (US) 2017-08-03 WO disclosed
WO-2015101928-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2015-07-09 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 WO disclosed
WO-2012028100-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-03-08 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 (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-20190352286-A1 BENZIMIDAZOLE DERIVATIVES AS MODULATORS OF ROR-GAMMA RORB, RORC, RORA HTT 4875/4885NPSR1 3067/4885ALDH1A1 397/4885
US-10829481-B2 Benzimidazole derivatives as modulators of ROR-gamma RORB, RORC, RORA HTT 4863/4885NPSR1 3030/4885ALDH1A1 236/4885
US-20210094940-A1 MODULATORS OF ROR-GAMMA RORC, RORB, RORA HTT 4668/4885NPSR1 876/4885ALDH1A1 546/4885

“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.