SCHEMBL5778339

SCHEMBL5778339

COc1cc(S(C)(=O)=O)cc2c1cc1n2CCCC1=O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 1/20 0.34
TSHR P16473 3/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
NPBWR1 P48145 1/20 0.33
PTGS2 P35354 3/20 0.33
POLB P06746 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HCRTR1 O43613 1/20 0.32
HCRTR2 O43614 1/20 0.32
XDH P47989 2/20 0.32
EGFR P00533 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGS1 P23219 1/20 0.31
GPR119 Q8TDV5 1/20 0.31
PDE4B Q07343 1/20 0.31

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
SCHEMBL5775811 0.80 HPGD (0.37) TSHRALDH1A1GAAKDM4EMEN1
SCHEMBL5776814 0.77 MAPT (0.35) TSHRALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5776811 0.77 MAPT (0.35) TSHRALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL9258757 0.68 TNFRSF1A (0.43) ALDH1A1KDM4EMEN1KMT2AGLA
SCHEMBL5777846 0.66 GABRA1 (0.40) TSHRALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL2018382 0.64 ALDH1A1 (0.41) TSHRALDH1A1GAAKDM4EL3MBTL1
SCHEMBL5778344 0.62 PTGS2 (0.38) GPBAR1TSHRALDH1A1GAANPBWR1
SCHEMBL9287303 0.62 KDM4E (0.48) TSHRALDH1A1GAAPOLBSMN1; SMN2
SCHEMBL5774331 0.62 GRM2 (0.35) ALDH1A1XDHEGFRKDM4E
SCHEMBL7319937 0.61 SMN1; SMN2 (0.52) TSHRALDH1A1GAAPTGS2POLB

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-7144913-B2 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA & CO. (CA) 2006-12-05 US disclosed
EP-1395590-B1 DIHYDROPYRROLO¬1,2-A|INDOLE AND TETRAHYDROPYRIDO¬1,2-A|INDOLE DERIVATIVES AS PROSTAGLANDIN D2 RECEPTOR ANTAGONISTS MERCK FROSST CANADA INC (CA) 2006-09-27 EP disclosed
US-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists MERCK FROSST CANADA LTD. (CA) 2004-09-16 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-20040180934-A1 Dihydropyrrolo[1,2-a]indole and tetrahydropyrido[1,2-a]-indole derivatives as prostaglandin d2 receptor antagonists PTGDR, PTGDR2, PTGIR GPBAR1 377/4885TSHR 744/4885ALDH1A1 860/4885

“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.