SCHEMBL7521979

SCHEMBL7521979

O=C(O)COc1cccc2c1OC(SCc1ccccc1)c1sc(-c3ccccc3-c3cccc4ccccc34)nc1-2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
POLB P06746 4/20 0.36
MAPT P10636 3/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
USP2 O75604 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
PTPN1 P18031 2/20 0.32
TBXA2R P21731 3/20 0.32
PTGIR P43119 3/20 0.32
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL7521989 0.88 S1PR5 (0.37) KDM4EPOLBMAPTTP53MEN1
SCHEMBL7523575 0.86 PPARD (0.38) POLBMAPTTP53PTPN1PTGDR2
SCHEMBL7527054 0.86 PPARD (0.38) ALDH1A1KDM4ETDP1POLBMAPT
SCHEMBL7523863 0.86 TP53 (0.44) ALDH1A1HPGDKDM4EPOLBMAPT
SCHEMBL7974184 0.85 PPARG (0.41) PTGDR2
SCHEMBL7523911 0.71 PTGIR (0.39) POLBMAPTTP53PTGIR
SCHEMBL7523254 0.70 RXFP1 (0.40) ALDH1A1HPGDKDM4ETDP1POLB
SCHEMBL7526679 0.70 FFAR1 (0.38) ALDH1A1HPGDKDM4ETDP1POLB
SCHEMBL7523182 0.68 PTGDR2 (0.41) PTGIRPTGDR2
SCHEMBL7527946 0.68 PPARD (0.39) PTPN1PTGIRPTGDR2

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-6417213-B2 ANTICOAGULANTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-09 US disclosed
US-20020006944-A1 Tricyclic compounds, their production and use OHKAWA SHIGENORI (JP) 2002-01-17 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-20020006944-A1 Tricyclic compounds, their production and use CNR1, PTGER1, PTGDR ALDH1A1 1662/4885HPGD 376/4885KDM4E 4000/4885

“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.