SCHEMBL12416941

SCHEMBL12416941

CC(C)(C)[Si](C)(C)OCCC1CN1S(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.41
TRPA1 O75762 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
HTR1A P08908 3/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C19 P33261 1/20 0.37
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35

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
SCHEMBL2215081 1.00 HTR7 (0.41) HTR7TRPA1LMNASMN1; SMN2HTR1A
SCHEMBL12435190 0.89 ALDH1A1 (0.40) LMNAMAPT
SCHEMBL16900674 0.78 TRPA1 (0.46) HTR7TRPA1LMNASMN1; SMN2HTR1A
SCHEMBL16220192 0.74 PSEN1 (0.50) HTR7HTR1ATP53
SCHEMBL2185773 0.74 CYP3A4 (0.48) HTR7TRPA1LMNAHTR1ACYP3A4
SCHEMBL2185769 0.74 CYP3A4 (0.48) HTR7TRPA1LMNAHTR1ACYP3A4
SCHEMBL15494285 0.71
SCHEMBL18988641 0.71 TRPA1 (0.46) HTR7TRPA1LMNAHTR1ACYP3A4
SCHEMBL7118504 0.70 MAPT (0.52) HTR7TRPA1LMNASMN1; SMN2HTR1A
SCHEMBL7118507 0.70 MAPT (0.52) HTR7TRPA1LMNASMN1; SMN2HTR1A

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
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-8637671-B2 Indole derivatives as CRTH2 receptor antagonists MERCK CANADA INC. (CA) 2014-01-28 US disclosed
US-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA LTD (CA) 2011-07-14 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-20110172263-A1 INDOLE DERIVATIVES AS CRTH2 RECEPTOR ANTAGONISTS PTGER2, PTGDR2, PTGDR HTR7 219/4885TRPA1 483/4885LMNA 4369/4885

“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.