SCHEMBL5777848

SCHEMBL5777848

CCOC(=O)CC1CCCc2c1cc1c(OC)cc(S(C)(=O)=O)cn21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MAPT P10636 2/20 0.35
POLB P06746 2/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 2/20 0.33
TSHR P16473 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPK1 P28482 1/20 0.33
HTR6 P50406 1/20 0.32
TBXA2R P21731 1/20 0.32
PTGDR Q13258 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C19 P33261 1/20 0.32
HCRTR1 O43613 1/20 0.32

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
SCHEMBL5776817 0.72 KDM4E (0.36) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL5777846 0.71 GABRA1 (0.40) ALDH1A1SMN1; SMN2MAPTPOLBLMNA
SCHEMBL4530072 0.69 CYP11B1 (0.43) ALDH1A1SMN1; SMN2CYP11B1CYP11B2POLB
SCHEMBL2017263 0.69 CYP11B1 (0.40) ALDH1A1CYP11B1CYP11B2POLBLMNA
SCHEMBL6321572 0.67 ALDH1A1 (0.48) ALDH1A1CYP11B1CYP11B2MAPTPOLB
SCHEMBL12086776 0.67 SIGMAR1 (0.50)
SCHEMBL2466512 0.67 PPARD (0.52) HTR6
SCHEMBL12214572 0.67 PPARD (0.52) HTR6
SCHEMBL13235105 0.67 PPARD (0.52) HTR6
SCHEMBL14508402 0.66 CYP11B1 (0.43) ALDH1A1SMN1; SMN2CYP11B1CYP11B2MAPT

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 ALDH1A1 860/4885SMN1; SMN2 4851/4885CYP11B1 297/4885

“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.