SCHEMBL3165115

SCHEMBL3165115

C[C@H](Oc1cccc(SCCn2nc(C(c3ccccc3)c3ccccc3)ccc2=O)c1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 6/20 0.52
PTGDR Q13258 1/20 0.52
PTGIR P43119 1/20 0.38
MTNR1A P48039 4/20 0.36
MTNR1B P49286 4/20 0.36
FABP4 P15090 1/20 0.36
CYP1A2 P05177 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
PKM P14618 1/20 0.35
CYP2C19 P33261 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
POLB P06746 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
SCHEMBL3159576 0.94 PTGDR2 (0.54) PTGDR2PTGDRPTGIRMTNR1AMTNR1B
SCHEMBL3159621 0.85 PTGDR2 (0.72) PTGDR2PTGDRPTGIR
SCHEMBL4271728 0.83 PTGDR2 (0.54) PTGDR2PTGDRPTGIRMTNR1AMTNR1B
SCHEMBL3166276 0.82 PTGDR2 (0.68) PTGDR2PTGDRMTNR1AMTNR1BCYP1A2
SCHEMBL16493870 0.82 PTGDR2 (0.48) PTGDR2PTGDRPTGIRSMN1; SMN2KDM4E
SCHEMBL3176587 0.82 PTGDR2 (0.59) PTGDR2PTGDRKDM4EPOLB
SCHEMBL3166257 0.81 PTGDR2 (0.75) PTGDR2PTGDRPTGIR
SCHEMBL3168783 0.81 PTGDR2 (0.75) PTGDR2PTGDRPTGIR
SCHEMBL4271726 0.81 PTGDR2 (0.53) PTGDR2PTGDRPTGIRMTNR1AMTNR1B
SCHEMBL3159228 0.81 PTGDR2 (0.72) PTGDR2PTGDRPTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
US-8273745-B2 Polycyclic acid compounds useful as CRTH2 antagonists and antiallergic agents ASTELLAS PHARMA INC (JP) 2012-09-25 US disclosed
EP-2094662-B1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC (JP) 2012-04-11 EP disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 US disclosed
US-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS ASTELLAS PHARMA INC. (JP) 2010-01-14 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-20100009991-A1 POLYCYCLIC ACID COMPOUNDS USEFUL AS CRTH2 ANTAGONISTS AND ANTIALLERGIC AGENTS HRH2, HRH1, HRH4 PTGDR2 116/4885PTGDR 189/4885PTGIR 216/4885

“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.