SCHEMBL832330

SCHEMBL832330

CS(=O)(=O)c1cc(F)cc2c3c(n(CC(=O)O)c12)CC[C@H](NC(=O)OCc1ccccc1)C3

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.49
PDE2A O00408 5/20 0.49
PTGDR Q13258 8/20 0.46
TBXA2R P21731 7/20 0.46
PDE4A P27815 1/20 0.44
TSPO P30536 1/20 0.44
PTGER1 P34995 1/20 0.44
DRD3 P35462 1/20 0.44
PTGFR P43088 1/20 0.44
PTGER3 P43115 1/20 0.44
PTGER2 P43116 1/20 0.44
PTGIR P43119 1/20 0.44
PDE4D Q08499 1/20 0.44
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
ACHE P22303 2/20 0.43
ALDH1A1 P00352 1/20 0.41
GAA P10253 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
SCHEMBL832331 1.00 PTGDR2 (0.49) PTGDR2PDE2APTGDRTBXA2RPDE4A
SCHEMBL832517 1.00 PTGDR2 (0.49) PTGDR2PDE2APTGDRTBXA2RPDE4A
SCHEMBL831208 0.89 PTGDR2 (0.50) PTGDR2PTGDRTBXA2RCA1CA2
SCHEMBL831209 0.89 PTGDR2 (0.50) PTGDR2PTGDRTBXA2RCA1CA2
SCHEMBL833355 0.87 PTGDR2 (0.50) PTGDR2PTGDRTBXA2RPTGER2CA1
SCHEMBL832642 0.87 PTGDR2 (0.50) PTGDR2PDE2APTGDRTBXA2RPTGER1
SCHEMBL834697 0.87 PTGDR2 (0.50) PTGDR2PTGDRTBXA2RPTGER2CA1
SCHEMBL831339 0.87 PTGDR2 (0.50) PTGDR2PDE2APTGDRTBXA2RPTGER1
SCHEMBL833354 0.87 PTGDR2 (0.50) PTGDR2PTGDRTBXA2RPTGER2CA1
SCHEMBL831338 0.87 PTGDR2 (0.50) PTGDR2PDE2APTGDRTBXA2RPTGER1

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-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US claimed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP claimed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 US claimed
US-8143304-B2 (3-amino-1,2,3,4-tetrahydro-9 H-carbazol-9-yl)-acetic acid derivatives ACTELION PHARMACEUTICAL LTD. (CH) 2012-03-27 US disclosed
EP-2051962-B1 (3-AMINO-1,2,3,4-TETRAHYDRO-9H-CARBAZOL-9-YL)-ACETIC ACID DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2011-10-26 EP disclosed
EP-2316824-A1 (3-Amino-1,2,3,4-tetrahydro-9H-carbazoI-9-yl)-acetic acid derivates Actelion Pharmaceuticals Ltd. (CH) 2011-05-04 EP disclosed
US-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2010-07-29 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-20100190830-A1 (3-Amino-1,2,3,4-Tetrahydro-9H-Carbazol-9-yl)-Acetic Acid Derivatives PTGDR, PTGER1, PTGIR PTGDR2 4/4885PDE2A 299/4885PTGDR 1/4885

“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.