SCHEMBL7524434

SCHEMBL7524434

O=C(O)COc1cccc2c1CC(SCc1ccccc1)c1sc(-c3ccc(Cl)cc3)nc1-2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.41
POLB P06746 2/20 0.41
MAPT P10636 2/20 0.41
PTGDR2 Q9Y5Y4 7/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARD Q03181 6/20 0.38
CASP3 P42574 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PTGIR P43119 1/20 0.36
PTGDR Q13258 1/20 0.36
PRCP P42785 1/20 0.36
PPARA Q07869 1/20 0.35
PLA2G1B P04054 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7526347 0.93 PTGIR (0.43) TP53POLBMAPTPTGDR2KDM4E
SCHEMBL7523182 0.92 PTGDR2 (0.41) PTGDR2PPARDPTGIRPTGDRPRCP
SCHEMBL7518610 0.91 PTGIR (0.41) PTGDR2KDM4EALDH1A1PPARDPTGIR
SCHEMBL7523254 0.90 RXFP1 (0.40) TP53POLBMAPTPTGDR2KDM4E
SCHEMBL7527946 0.90 PPARD (0.39) PTGDR2PPARDPTGIRPTGDRPPARA
SCHEMBL7520993 0.90 PTGDR2 (0.43) PTGDR2PPARDPTGIRPTGDR
SCHEMBL7521474 0.89 PTGDR2 (0.39) POLBPTGDR2PPARDPTGIRPTGDR
SCHEMBL7521166 0.88 PTGDR2 (0.42) MAPTPTGDR2ALDH1A1PPARD
SCHEMBL7523911 0.88 PTGIR (0.39) TP53POLBMAPTPPARDPTGIR
SCHEMBL7522034 0.87 PTGIR (0.43) TP53POLBPTGDR2PPARDPTGIR

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 3 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
US-6248766-B1 CARDIOVASCULAR DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-19 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 TP53 3952/4885POLB 2936/4885MAPT 4864/4885

“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.