SCHEMBL5226731

SCHEMBL5226731

COC(=O)c1ccc(Cl)cc1SCCC(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.50
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.42
HSD17B10 Q99714 2/20 0.42
HPGD P15428 1/20 0.42
NR4A2 P43354 2/20 0.42
RXFP1 Q9HBX9 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 1/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 1/20 0.40
CYP3A4 P08684 1/20 0.40

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
SCHEMBL9660296 0.86 ABL1 (0.53) ABL1KDM4EALDH1A1HSD17B10NR4A2
SCHEMBL28440107 0.86 ABL1 (0.56) ABL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL27487607 0.80 CDC25A (0.48) ALDH1A1HPGDSMN1; SMN2MAPTNPC1
SCHEMBL4071201 0.77 ABL1 (0.60) ABL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL6605160 0.77 CDC25A (0.45) KDM4EALDH1A1HPGDSMN1; SMN2MAPT
SCHEMBL25826611 0.76 ABL1 (0.63) ABL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL5458601 0.75 ABL1 (0.54) ABL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9660829 0.74 POLB (0.49) ABL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9323068 0.74 ABL1 (0.53) ABL1KDM4EALDH1A1HSD17B10HPGD
SCHEMBL9660294 0.74 ABL1 (0.53) ABL1KDM4EALDH1A1HSD17B10NR4A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES WITSCHEL MATTHIAS 2007-08-23 US disclosed
EP-1163240-B1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AG (DE) 2007-03-14 EP disclosed
US-7115545-B1 Tricyclic benzoylpyrazole derivatives used as a herbicide BASF AKTIENGESELLSCHAFT (DE) 2006-10-03 US disclosed
EP-1181295-B1 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AG (DE) 2004-02-18 EP disclosed
US-6583089-B1 Pre- and postemergence herbicides such as (5,5-dimethyl-1,3-dioxocyclohex-2yl)(6-methoxy-3a,4-dihydro-3H -chromeno(4,3c) isoxazolin-9-yl)methanone, formed by acylation and rearranging in the presence of catalysts BASF AKTIENGESELLSCHAFT (DE) 2003-06-24 US disclosed
CN-1358186-A Tricyclic benzoylcylohexanedione derivatives BASF AG (DE) 2002-07-10 CN disclosed
EP-1181295-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
EP-1163240-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2001-12-19 EP disclosed
WO-2000073311-A2 TRICYCLIC BENZOYLCYCLOHEXANEDIONE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-12-07 WO disclosed
WO-2000055158-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES USED AS A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-09-21 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-20070197393-A1 TRICYCLIC BENZOYLPYRAZOLE DERIVATIVES CBR3, CBR1, KAT8 ABL1 1344/4885KDM4E 2750/4885ALDH1A1 4069/4885

“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.