SCHEMBL6258686

SCHEMBL6258686

O=C(Cl)c1ccc(SCc2ccccc2OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 3/20 0.50
PTGER4 P35408 3/20 0.50
PTGER3 P43115 3/20 0.50
PTGER2 P43116 3/20 0.50
HTR1A P08908 1/20 0.49
DRD2 P14416 1/20 0.49
RXRA P19793 4/20 0.46
RXRB P28702 3/20 0.46
HPGD P15428 2/20 0.46
RXRG P48443 2/20 0.43
ABCB1 P08183 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
GLRA1 P23415 1/20 0.42
FOLH1 Q04609 1/20 0.42
EGFR P00533 1/20 0.42
ATM Q13315 1/20 0.42
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL6260237 0.90 PTGER1 (0.62) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8409744 0.83 HTR1A (0.69) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8162286 0.81 SPHK2 (0.57) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8696840 0.81 HTR1A (0.50) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8174051 0.80 NPC1 (0.53) PTGER1PTGER4PTGER3PTGER2HPGD
SCHEMBL8169311 0.76 LMNA (0.66) PTGER1HTR1ADRD2HPGDL3MBTL1
SCHEMBL6257700 0.76 POLB (0.64) LMNAGAA
SCHEMBL8698068 0.75 HTR1A (0.53) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL8698071 0.74 PTGER1 (0.52) PTGER1PTGER4PTGER3PTGER2HTR1A
SCHEMBL31757878 0.73 HTR1A (0.57) PTGER1PTGER4PTGER3PTGER2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0752421-B1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ASTRAZENECA AB (SE) 2005-10-12 EP disclosed
US-6787562-B2 ANALGESICS; OSTEOPOROSIS ZENECA LTD. (GB) 2004-09-07 US disclosed
US-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists SYNGENTA LIMITED (GB) 2003-07-24 US disclosed
US-6057345-A ANTAGONISTS OF THE PAIN ENHANCING EFFECTS OF E-TYPE PROSTAGLANDINS; USED IN PAIN RELIEF ZENECA LIMITED (GB) 2000-05-02 US disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP 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-20030139418-A1 Substituted aryl and heteroaryl compounds as E-type prostaglandin antagonists PTGER1, PTGDR, PTGER2 PTGER1 1/4885PTGER4 4/4885PTGER3 7/4885

“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.