SCHEMBL5778344

SCHEMBL5778344

COc1cc(S(C)(=O)=O)cn2c3c(cc12)C(=O)CCC3

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.38
PTGS1 P23219 5/20 0.38
BRD4 O60885 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
TSHR P16473 3/20 0.35
MCOLN3 Q8TDD5 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA9 Q16790 1/20 0.35
PDE4B Q07343 1/20 0.35
EGFR P00533 1/20 0.34

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
SCHEMBL5775816 0.79 HPGD (0.36) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL5776817 0.77 KDM4E (0.36) PTGS2SMN1; SMN2TSHRALDH1A1KMT2A
SCHEMBL5777848 0.67 ALDH1A1 (0.35) SMN1; SMN2TSHRALDH1A1MEN1KMT2A
SCHEMBL19656846 0.63 SMN1; SMN2 (0.54) PTGS2PTGS1BRD4SMN1; SMN2TSHR
SCHEMBL5778339 0.62 GPBAR1 (0.34) PTGS2PTGS1SMN1; SMN2TSHRMCOLN3
SCHEMBL862980 0.59 POLB (0.73) PTGS2PTGS1SMN1; SMN2TSHRLMNA
SCHEMBL1933234 0.59 MAPT (0.67) PTGS2SMN1; SMN2TSHRALDH1A1
SCHEMBL424613 0.59 HSD17B1 (0.54) TSHRALDH1A1MEN1KMT2ALMNA
SCHEMBL6755012 0.59 ALDH1A1 (0.59) PTGS2PTGS1SMN1; SMN2TSHRALDH1A1
SCHEMBL7319937 0.57 SMN1; SMN2 (0.52) PTGS2SMN1; SMN2TSHRALDH1A1HPGD

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 PTGS2 7/4885PTGS1 8/4885BRD4 696/4885

“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.