SCHEMBL6355277

SCHEMBL6355277

Nc1c(C(=O)O)cccc1C(=O)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.56
CASP7 P55210 1/20 0.56
CASP6 P55212 1/20 0.56
LIG1 P18858 1/20 0.55
SRD5A2 P31213 1/20 0.52
POLB P06746 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
AKR1C3 P42330 3/20 0.50
CDC25B P30305 1/20 0.49
ATM Q13315 1/20 0.49
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PKM P14618 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
ABCB11 O95342 1/20 0.48
PTGS1 P23219 1/20 0.48

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
SCHEMBL2690787 0.87 AKR1C3 (0.67) G6PDCASP7CASP6POLBAKR1C3
SCHEMBL28097720 0.84 AKR1C3 (0.69) G6PDCASP7CASP6POLBAKR1C3
SCHEMBL9737659 0.84 LIG1 (0.56) LIG1SRD5A2LMNAMAPTESR1
SCHEMBL28052811 0.83 AKR1C3 (0.67) G6PDCASP7CASP6SRD5A2POLB
SCHEMBL29360039 0.81 AKR1C3 (0.76) LIG1SRD5A2POLBTDP1L3MBTL1
SCHEMBL63564 0.81 AKR1C3 (0.76) LIG1SRD5A2POLBTDP1L3MBTL1
SCHEMBL11025929 0.81 MEN1 (0.53) G6PDCASP7CASP6TDP1L3MBTL1
SCHEMBL526919 0.80 G6PD (0.74) G6PDCASP7CASP6POLBAKR1C3
SCHEMBL6359543 0.79 ELANE (0.58) G6PDCASP7CASP6POLBTDP1
SCHEMBL30806223 0.78 G6PD (0.71) G6PDCASP7CASP6POLBAKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113450-A1 Antibacterial agents PHARMACIA & UPJOHN COMPANY 2005-05-26 US disclosed
WO-2004018414-A2 ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20050113450-A1 Antibacterial agents CLPP, SPOUT1, SAMHD1 G6PD 418/4885CASP7 191/4885CASP6 214/4885

“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.