SCHEMBL10175759

SCHEMBL10175759

CC(C)Oc1ccc(S(=O)(=O)N2CC[C@@H](C)C2)cc1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DHCR7 Q9UBM7 1/20 0.73
MCOLN3 Q8TDD5 1/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PTGDR2 Q9Y5Y4 9/20 0.53
LMNA P02545 2/20 0.51
HTT P42858 1/20 0.51
RECQL P46063 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PTGDR Q13258 3/20 0.48

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
SCHEMBL16080246 1.00 DHCR7 (0.73) DHCR7MCOLN3MEN1KMT2ATDP1
SCHEMBL841106 0.85 DHCR7 (0.60) DHCR7PTGDR2PTGDR
SCHEMBL16080227 0.82 DHCR7 (0.60) DHCR7PTGDR2
SCHEMBL16080232 0.82 DHCR7 (0.60) DHCR7PTGDR2
SCHEMBL1106916 0.82 DHCR7 (0.67) DHCR7MCOLN3PTGDR2SMN1; SMN2PTGDR
SCHEMBL19214946 0.81 KMT2A (0.68) MEN1KMT2ATDP1SMN1; SMN2
SCHEMBL12209246 0.79 HTT (0.66) DHCR7MEN1KMT2ATDP1HTT
SCHEMBL6882681 0.79 EBP (0.63) DHCR7MCOLN3MEN1KMT2ATDP1
SCHEMBL13818486 0.79 EBP (0.63) DHCR7MCOLN3MEN1KMT2ATDP1
SCHEMBL8185779 0.79 EBP (0.63) DHCR7MCOLN3MEN1KMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2752410-B1 HETEROCYCLE DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONIST ACTIVITY SHIONOGI & CO (JP) 2016-08-31 EP disclosed
US-8623903-B2 Indolecarboxylic acid derivative having PGD2 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2014-01-07 US disclosed
US-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY KUGIMIYA AKIRA (JP) 2012-06-07 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-20120142687-A1 INDOLECARBOXYLIC ACID DERIVATIVE HAVING PGD2 RECEPTOR ANTAGONISTIC ACTIVITY PTGDR, CYSLTR1, CYSLTR2 DHCR7 760/4885MCOLN3 2077/4885MEN1 4841/4885

“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.