SCHEMBL7521989

SCHEMBL7521989

O=C(O)COc1cccc2c1OC(SCc1ccccc1)c1sc(-c3ccccc3-c3ccc4ccccc4c3)nc1-2

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.37
S1PR4 O95977 8/20 0.37
PPARD Q03181 3/20 0.37
FABP4 P15090 2/20 0.37
PTPN1 P18031 1/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
FFAR4 Q5NUL3 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
KMT2A Q03164 1/20 0.33
PAX8 Q06710 1/20 0.33

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
SCHEMBL7523575 0.95 PPARD (0.38) S1PR5S1PR4PPARDFABP4PTPN1
SCHEMBL7521979 0.88 ALDH1A1 (0.40) PTPN1MAPTTP53POLBKDM4E
SCHEMBL7527054 0.87 PPARD (0.38) PPARDPTPN1MAPTTP53POLB
SCHEMBL7523863 0.87 TP53 (0.44) PPARDMAPTTP53POLBKDM4E
SCHEMBL7527946 0.78 PPARD (0.39) S1PR5S1PR4PPARDFABP4PTPN1
SCHEMBL7523182 0.70 PTGDR2 (0.41) PPARD
SCHEMBL7520993 0.70 PTGDR2 (0.43) PPARDPTPN1
SCHEMBL7524434 0.69 TP53 (0.41) PPARDMAPTTP53POLBKDM4E
SCHEMBL7518610 0.69 PTGIR (0.41) PPARDKDM4ELMNA
SCHEMBL7523911 0.69 PTGIR (0.39) PPARDMAPTTP53POLB

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 S1PR5 358/4885S1PR4 405/4885PPARD 942/4885

“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.