SCHEMBL3104074

SCHEMBL3104074

CC(C(=O)O)n1c(=O)ccc2c(Cl)c(Cl)ccc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ PTGDR2 Q9Y5Y4 1/20 0.41
▸ PHGDH O43175 1/20 0.36
▸ THRA P10827 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.33
▸ CSNK2B P67870 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.32
▸ MAPK14 Q16539 2/20 0.32
▸ SLC22A12 Q96S37 1/20 0.32
▸ PTGS2 P35354 2/20 0.32
▸ USP5 P45974 1/20 0.31
▸ KMT2A Q03164 1/20 0.31

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
SCHEMBL21027022 0.74 SYK (0.39) PTGDR2KDM4EUSP5KMT2A
SCHEMBL21027516 0.74 SYK (0.39) PTGDR2KDM4EUSP5KMT2A
SCHEMBL21027528 0.74 SYK (0.39) PTGDR2KDM4EUSP5KMT2A
SCHEMBL11397353 0.66 ALDH1A1 (0.41) PTGDR2CSNK2A2CSNK2BCSNK2A1KDM4E
SCHEMBL11826429 0.66 KDM4E (0.51) KDM4EUSP5KMT2A
SCHEMBL150034 0.65 KMT2A (0.53) KDM4EUSP5KMT2A
SCHEMBL18258624 0.65 KMT2A (0.53) KDM4EUSP5KMT2A
SCHEMBL21027730 0.65 P2RX4 (0.50) KDM4EPTGS2USP5KMT2A
SCHEMBL14232159 0.64 PTGDR2 (0.44) PTGDR2KDM4EPTGS2
SCHEMBL15486713 0.64 DNMT1 (0.45) PTGDR2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS GOODMAN KRISTA B 2010-10-07 — — 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-20100256130-A1 MORPHOLINYL AND PYRROLIDINYL ANALOGS UTS2R, AVPR2, VIPR2 NOTUM 3115/4885PTGDR2 90/4885PHGDH 3055/4885

“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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