SCHEMBL12623239

SCHEMBL12623239

Cc1ccc2c(c1)c1c3cccnc3oc(=O)c1n2Cc1cc(S(C)(=O)=O)ccc1F

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 12/20 0.36
▸ CCKAR P32238 1/20 0.32
▸ COMT P21964 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ PARG Q86W56 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ AKR1B1 P15121 1/20 0.32
▸ PTGS1 P23219 1/20 0.31
▸ PTGS2 P35354 1/20 0.31
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ PKM P14618 1/20 0.30

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
SCHEMBL12623302 0.92 CA1 (0.33) PTGDR2CCKARCOMTKCNH2PARG
SCHEMBL12623356 0.90 PTGDR2 (0.35) PTGDR2CCKARPARGPTGS1PTGS2
SCHEMBL12623512 0.89 PARG (0.36) COMTKCNH2PARGTP53KDM4E
SCHEMBL12623112 0.87 BRD4 (0.37) PTGDR2KCNH2
SCHEMBL12622996 0.87 PTGDR2 (0.33) PTGDR2KCNH2MGAMGAASI
SCHEMBL832275 0.87 KDM4E (0.42) MGAMGAASIMGAM2TP53
SCHEMBL12623542 0.86 PTGDR2 (0.35) PTGDR2KCNH2
SCHEMBL12623009 0.85 PIK3R1 (0.38) PTGDR2KCNH2MGAMGAASI
SCHEMBL832999 0.83 PTGDR2 (0.37) PTGDR2KCNH2CYP2C9PTGS1PTGS2
SCHEMBL10257060 0.83 PPARG (0.35) PTGDR2KCNH2TP53KDM4ETSHR

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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — US disclosed
US-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS MERCK SHARP & DOHME CORP. 2011-05-05 — — 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-20110104109-A1 TETRACYCLIC INDOLE DERIVATIVES AND THEIR USE FOR TREATING OR PREVENTING VIRAL INFECTIONS IDO1, IDO2, ZC3HAV1 PTGDR2 2993/4885CCKAR 3453/4885COMT 92/4885

“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.

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