SCHEMBL7522033

SCHEMBL7522033

Cc1cccc(C(Sc2nc3c(s2)CCc2c(OCC(=O)O)cccc2-3)c2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 12/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.39
PTGDR Q13258 2/20 0.38
TBXA2R P21731 4/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
KDM4E B2RXH2 1/20 0.35
PPARD Q03181 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL7518608 0.94 PTGIR (0.40) PTGIRPTGDR2PTGDRTBXA2RLMNA
SCHEMBL7519310 0.93 PTGIR (0.43) PTGIRPTGDRTBXA2RALDH1A1KDM4E
SCHEMBL7555836 0.90 PTGIR (0.41) PTGIRPTGDR2PTGDRTBXA2RPPARD
SCHEMBL7526342 0.90 PTGIR (0.41) PTGIRPTGDR2PTGDRTBXA2R
SCHEMBL7523179 0.89 PTGIR (0.40) PTGIRPTGDR2PTGDRTBXA2RPPARD
SCHEMBL7526675 0.88 PTGIR (0.39) PTGIRPTGDRTBXA2RKDM4EPPARD
SCHEMBL7520989 0.88 PPARD (0.40) PTGIRPTGDR2PTGDRPPARDNPC1
SCHEMBL7583941 0.88 PTGDR2 (0.41) PTGIRPTGDR2PTGDRPPARD
SCHEMBL7524431 0.88 PTGIR (0.40) PTGIRPTGDR2PTGDRTBXA2RPPARD
SCHEMBL7517341 0.87 PTGDR2 (0.39) PTGIRPTGDR2PPARD

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 PTGIR 11/4885PTGDR2 10/4885PTGDR 3/4885

“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.