SCHEMBL19799337

SCHEMBL19799337

Cc1ccc(S(=O)(=O)N(C)C2CCc3c(c4ccccc4n3CC(=O)O)C2)cc1

nearest known ligand 0.84

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 19/20 0.84
PTGDR Q13258 12/20 0.84
TBXA2R P21731 6/20 0.84
HTR6 P50406 1/20 0.57
CYP2C9 P11712 4/20 0.56
CYP3A4 P08684 2/20 0.51
DRD2 P14416 1/20 0.50
GABRA1 P14867 1/20 0.50
ADRA1D P25100 1/20 0.50
SLC6A3 Q01959 1/20 0.50

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
SCHEMBL16558828 0.91 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RHTR6CYP2C9
SCHEMBL16558832 0.91 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RHTR6CYP2C9
SCHEMBL19799334 0.91 PTGDR2 (0.85) PTGDR2PTGDRTBXA2RHTR6CYP2C9
SCHEMBL26978682 0.90 PTGDR2 (0.80) PTGDR2PTGDRTBXA2RHTR6CYP2C9
Trifluoromethanesulfonic Acid SCHEMBL27124564 0.84 PTGDR2 (0.74) PTGDR2PTGDRTBXA2RCYP2C9
SCHEMBL7409341 0.84 PTGDR2 (0.72) PTGDR2PTGDRTBXA2RHTR6
Hydrochloric Acid SCHEMBL7408565 0.83 PTGDR2 (0.71) PTGDR2PTGDRTBXA2RHTR6
SCHEMBL16558831 0.82 PTGDR2 (1.00) PTGDR2PTGDRTBXA2RHTR6CYP2C9
SCHEMBL23616417 0.81 PTGDR2 (0.81) PTGDR2PTGDRTBXA2RHTR6CYP2C9
SCHEMBL1427760 0.81 PTGDR2 (0.81) PTGDR2PTGDRTBXA2RCYP2C9

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-20230330062-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS INST NAT SANTE RECH MED (FR) 2023-10-19 US disclosed
US-20180021302-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2018-01-25 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 (2 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-20180021302-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS PTGDR, PTGDR2, PTGIR PTGDR2 2/4885PTGDR 1/4885TBXA2R 10/4885
US-20230330062-A1 PTGDR-1 AND/OR PTGDR-2 ANTAGONISTS FOR PREVENTING AND/OR TREATING SYSTEMIC LUPUS ERYTHEMATOSUS PTGDR2, PTGDR, PTGIR PTGDR2 1/4885PTGDR 2/4885TBXA2R 10/4885

“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.