SCHEMBL5211700

SCHEMBL5211700

CC(C)(C)OC(=O)COCCCC[S+]([O-])c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.45
ADORA3 P0DMS8 2/20 0.45
TBXA2R P21731 2/20 0.45
AGTR1 P30556 2/20 0.45
PTGIR P43119 2/20 0.45
PDE4D Q08499 2/20 0.45
PTGDR Q13258 2/20 0.45
DRD1 P21728 1/20 0.45
CKS1B P61024 10/20 0.42
SKP1 P63208 10/20 0.42
SKP2 Q13309 10/20 0.42
ABCB11 O95342 1/20 0.41
HTR1A P08908 1/20 0.41
CNR1 P21554 1/20 0.41
HTR2A P28223 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2B P41595 1/20 0.41
SCN5A Q14524 1/20 0.41

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
SCHEMBL5218171 0.87 PTGIR (0.55) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5216034 0.86 PTGIR (0.54) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5216042 0.85 PTGIR (0.46) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5213022 0.80 NR1I2 (0.48) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5210346 0.78 NR1I2 (0.46) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5212529 0.77 NR1I2 (0.50) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5214425 0.76 NR1I2 (0.58) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5218495 0.76 NR1I2 (0.78) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL19820817 0.75 NR1I2 (0.77) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5215298 0.74 NR1I2 (0.55) NR1I2ADORA3TBXA2RAGTR1PTGIR

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-7205302-B2 Anticoagulants; antilipemic agents; cardiovascular disorders NIPPON SHINYAKU CO., LTD. (JP) 2007-04-17 US disclosed
CN-1301973-C Heterocyclic derivatives and medicines NIPPON SHINYAKU CO LTD (JP) 2007-02-28 CN disclosed
EP-1400518-B1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES NIPPON SHINYAKU CO LTD (JP) 2007-01-17 EP disclosed
CN-1516690-A Heterocyclic derivatives and medicines �ձ���ҩ��ʽ���� 2004-07-28 CN disclosed
US-20040102436-A1 Heterocyclic compound derivatives and medicines NIPPON SHINYAKU CO., LTD. (JP) 2004-05-27 US disclosed
EP-1400518-A1 HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES Nippon Shinyaku Co., Ltd. (JP) 2004-03-24 EP 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-20040102436-A1 Heterocyclic compound derivatives and medicines CNR2, CNR1, GPR55 NR1I2 8/4885ADORA3 279/4885TBXA2R 20/4885

“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.