SCHEMBL3759735

SCHEMBL3759735

CCC1Nc2ccccc2C1CC(=O)O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.48
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
ALOX15 P16050 1/20 0.40
CASP1 P29466 1/20 0.40
CASP7 P55210 1/20 0.40
GFER P55789 1/20 0.40
KMT2A Q03164 1/20 0.40
CDC25A P30304 1/20 0.39
HSPA1A P0DMV8 1/20 0.38
PTPN7 P35236 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
SRC P12931 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL2666124 0.81 MEN1 (0.40) EGFRMAPTMEN1GAAALOX15
SCHEMBL22136728 0.77 HTR5A (0.39) MAPTMEN1GAAALOX15CASP1
SCHEMBL24727276 0.77 HTR5A (0.41) EGFRMAPTMEN1GAAALOX15
SCHEMBL22142645 0.74 HTR5A (0.39) MAPTMEN1GAAALOX15CASP1
SCHEMBL16062410 0.72 EGFR (0.35) EGFRMAPTMEN1GAAALOX15
SCHEMBL16062408 0.72 EGFR (0.35) EGFRMAPTMEN1GAAALOX15
SCHEMBL7369050 0.72 EGFR (0.42) EGFRMEN1KMT2ACDC25AHSPA1A
SCHEMBL13476523 0.71 HTR5A (0.40) MAPTMEN1GAAALOX15CASP1
SCHEMBL3230758 0.71 HTT (0.40) MAPTMEN1KMT2ATDP1
SCHEMBL21898300 0.70 HTR5A (0.41) EGFRMAPTMEN1GAAALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7838518-B2 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders N.V. ORGANON (NL) 2010-11-23 US disclosed
EP-1476151-B1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS ORGANON NV (NL) 2008-07-16 EP disclosed
US-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders MERCK SHARP & DOHME B.V. (NL) 2005-07-14 US disclosed
EP-1476151-A1 1-ARYLSULFONYL-3-SUBSTITUED INDOLE AND INDOLINE DERIVATES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS Akzo Nobel N.V. (NL) 2004-11-17 EP disclosed
WO-2003068220-A1 1-ARYLSULFONYL-3-SUBSTITUTED INDOLE AND INDOLINE DERIVATIVES USEFUL IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS AKZO NOBEL N.V. (NL) 2003-08-21 WO 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-20050154023-A1 1-arylsulfonyl-3-substituted indole and indoline derivatives useful in the treatment of central nervous system disorders TPH1, HTR1A, HTR1D EGFR 507/4885MAPT 68/4885MEN1 2445/4885

“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.