SCHEMBL4048685

SCHEMBL4048685

O=C(O)Cc1ccccc1-c1cccs1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.54
AKR1B1 P15121 1/20 0.48
ALDH1A1 P00352 6/20 0.48
KDM4E B2RXH2 6/20 0.48
PPARG P37231 2/20 0.48
NCOA2 Q15596 1/20 0.48
NCOA1 Q15788 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 4/20 0.45
NPC1 O15118 2/20 0.45
TDP1 Q9NUW8 2/20 0.43
MCL1 Q07820 1/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
GAA P10253 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL9450326 0.91 ALDH1A1 (0.44) LTA4HAKR1B1ALDH1A1KDM4EPPARG
SCHEMBL8379240 0.80 SRPK1 (0.47) ALDH1A1KDM4EPPARGNCOA2NCOA1
SCHEMBL7827157 0.79 AKR1B1 (0.67) AKR1B1KDM4EMAPTTDP1GAA
SCHEMBL5023959 0.78 LTA4H (0.66) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL477614 0.78 LTA4H (0.61) LTA4HALDH1A1KDM4EMEN1KMT2A
SCHEMBL5866028 0.78 ALDH1A1 (0.43) LTA4HAKR1B1ALDH1A1KDM4EPPARG
SCHEMBL10367780 0.77 TDP1 (0.43) LTA4HAKR1B1ALDH1A1KDM4EPPARG
SCHEMBL27407309 0.76 S1PR1 (0.50) ALDH1A1KDM4EPPARGNCOA2NCOA1
SCHEMBL27149766 0.76 AKR1B1 (0.48) AKR1B1KDM4EMAPTTDP1PTGER1
SCHEMBL9449867 0.76 LTA4H (0.42) LTA4HALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
EP-2024371-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS Merck Frosst Canada Ltd. (CA) 2009-02-18 EP disclosed
WO-2007134434-A1 PHENANTHRENE DERIVATIVES AS MPGES-1 INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-11-29 WO disclosed
EP-1471923-A4 AMIDO MACROLIDES KOSAN BIOSCIENCES INC (US) 2006-01-11 EP disclosed
US-6939861-B2 Amido macrolides KOSAN BIOSCIENCES, INC. (US) 2005-09-06 US disclosed
EP-1471923-A1 AMIDO MACROLIDES Kosan Biosciences, Inc. (US) 2004-11-03 EP disclosed
US-20030199458-A1 Amido macrolides KOSAN BIOSCIENCES, INC. 2003-10-23 US disclosed
WO-2003061671-A1 AMIDO MACROLIDES KOSAN BIOSCIENCES, INC. (US) 2003-07-31 WO disclosed
US-4171366-A 1-Naphthothienylalkyl-1H-imidazoles CIBA-GEIGY CORPORATION (US) 1979-10-16 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 (2 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-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors PTGES, PTGS1, PTGES2 LTA4H 217/4885AKR1B1 350/4885ALDH1A1 158/4885
US-20030199458-A1 Amido macrolides PCSK9, ABCB4, PCSK7 LTA4H 244/4885AKR1B1 1858/4885ALDH1A1 4518/4885

“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.