SCHEMBL6606313

SCHEMBL6606313

O=C(O)c1ccc(-c2sc(Br)cc2-c2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.58
RXRB P28702 3/20 0.58
RXRG P48443 2/20 0.58
PTGER1 P34995 8/20 0.56
MCL1 Q07820 1/20 0.50
MAP4K4 O95819 1/20 0.48
FEN1 P39748 2/20 0.48
HPGD P15428 1/20 0.47
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
PTGER4 P35408 1/20 0.46
PTGER3 P43115 1/20 0.46
PTGER2 P43116 1/20 0.46

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
SCHEMBL5099618 0.80 RXRA (0.78) RXRARXRBRXRGPTGER1MCL1
SCHEMBL6604669 0.80 RXRA (0.62) RXRARXRBRXRGPTGER1MCL1
SCHEMBL3759214 0.80 RXRA (0.88) RXRARXRBRXRGPTGER1MCL1
SCHEMBL6606655 0.77 RXRA (0.69) RXRARXRBRXRGPTGER1MCL1
SCHEMBL6605970 0.75 RXRA (0.66) RXRARXRBRXRGPTGER1MCL1
SCHEMBL5096132 0.72 PTGER1 (1.00) RXRARXRBRXRGPTGER1PTGER4
SCHEMBL5620525 0.71 PTGER1 (0.77) RXRARXRBRXRGPTGER1MAP4K4
SCHEMBL5100155 0.71 PTGER1 (1.00) RXRARXRBRXRGPTGER1FEN1
SCHEMBL16321220 0.71 MAP4K4 (0.67) RXRARXRBRXRGPTGER1MAP4K4
SCHEMBL15923280 0.70 RXRA (0.68) RXRARXRBRXRGPTGER1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1216238-B1 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA INC (CA) 2004-02-18 EP claimed
US-6452000-B2 ALKYLATION; ACYLATION; CYCLIZATION; IMINATION; USEFUL AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-17 US claimed
US-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-06 US claimed
US-6218534-B1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermediate DUPONT PHARMACEUTICALS COMPANY 2001-04-17 US claimed
EP-1216238-B1 CARBOXYLIC ACIDS AND ACYLSULFONAMIDES, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK FROSST CANADA INC (CA) 2004-02-18 EP disclosed
US-6452000-B2 ALKYLATION; ACYLATION; CYCLIZATION; IMINATION; USEFUL AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-17 US disclosed
US-6369084-B1 PROSTAGLANDIN MEDIATED DISEASES MERCK FROSST CANADA & CO. (CA) 2002-04-09 US disclosed
US-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-06 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-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate IMPDH1, IDE, DIMT1 RXRA 4552/4885RXRB 4699/4885RXRG 4775/4885

“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.