SCHEMBL841102

SCHEMBL841102

Cc1ccc(S(=O)(=O)O[C@@H]2CCN(S(=O)(=O)c3ccc(OC(C)C)cc3)C2)cc1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.53
CYP2D6 P10635 2/20 0.49
PTGDR2 Q9Y5Y4 8/20 0.48
CYP1A2 P05177 1/20 0.47
PTGDR Q13258 6/20 0.47
MAPT P10636 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL3235232 0.89 CYP2D6 (0.59) DHCR7CYP2D6CYP1A2MAPTMEN1
SCHEMBL6863028 0.89 CYP2D6 (0.59) DHCR7CYP2D6CYP1A2MAPTMEN1
SCHEMBL3235228 0.89 CYP2D6 (0.59) DHCR7CYP2D6CYP1A2MAPTMEN1
SCHEMBL8425188 0.82 ALDH1A1 (0.56) CYP2D6CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL6881853 0.82 ALDH1A1 (0.56) CYP2D6CYP1A2MEN1KMT2ASMN1; SMN2
SCHEMBL8879797 0.81 CYP2D6 (0.66) DHCR7CYP2D6CYP1A2MAPTMEN1
SCHEMBL20594955 0.79 CYP2D6 (0.59) DHCR7CYP2D6CYP1A2MAPTMEN1
SCHEMBL10175759 0.78 DHCR7 (0.73) DHCR7PTGDR2PTGDRMEN1KMT2A
SCHEMBL16080246 0.78 DHCR7 (0.73) DHCR7PTGDR2PTGDRMEN1KMT2A
SCHEMBL7466566 0.77 ALDH1A1 (0.49) DHCR7CYP2D6CYP1A2MAPTMEN1

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-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-8143285-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-27 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
US-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity SHIONOGI & CO., LTD. (JP) 2009-04-23 US disclosed
EP-1932839-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY Shionogi Co., Ltd. (JP) 2008-06-18 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-20090105274-A1 Indolecarboxylic Acid Derivative Having PGD2 Receptor Antagonistic Activity PTGDR, CYSLTR1, CNR1 DHCR7 710/4885CYP2D6 512/4885PTGDR2 8/4885

“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.