SCHEMBL5446847

SCHEMBL5446847

CCOC(=O)CC(=O)NNc1ccc(C(=O)OCC)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.73
▸ GAA P10253 4/20 0.56
▸ CA1 P00915 2/20 0.56
▸ CA2 P00918 2/20 0.56
▸ CA12 O43570 1/20 0.56
▸ ESR1 P03372 1/20 0.56
▸ CA7 P43166 1/20 0.56
▸ CA9 Q16790 1/20 0.56
▸ ESR2 Q92731 1/20 0.56
▸ CA14 Q9ULX7 1/20 0.56
▸ RAB9A P51151 5/20 0.55
▸ HPGD P15428 2/20 0.54
▸ RECQL P46063 1/20 0.54
▸ MAPT P10636 3/20 0.52
▸ LMNA P02545 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ SMN1; SMN2 Q16637 5/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NPC1 O15118 2/20 0.51
▸ MEN1 O00255 2/20 0.51

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
SCHEMBL5724515 0.88 TSHR (0.56) TSHRGAARAB9AMAPTLMNA
SCHEMBL14157352 0.84 CA1 (0.62) TSHRGAACA1CA2CA12
SCHEMBL13977766 0.83 GAA (0.68) TSHRGAAMAPTTDP1SMN1; SMN2
SCHEMBL2384508 0.83 CA1 (0.61) TSHRGAACA1CA2CA12
SCHEMBL15619393 0.82 PTGS2 (0.54) TSHRGAAMAPTTDP1SMN1; SMN2
SCHEMBL9011618 0.79 SMN1; SMN2 (0.61) TSHRGAACA1CA2CA12
SCHEMBL10759919 0.78 MAPT (0.59) TSHRGAACA1CA2CA12
SCHEMBL28849404 0.78 SMN1; SMN2 (0.72) TSHRGAACA1CA2CA12
SCHEMBL11515591 0.77 TSHR (0.66) TSHRGAACA1CA2CA12
SCHEMBL11699263 0.77 CA1 (0.71) TSHRGAACA1CA2CA12

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-20070037846-A1 Pyrazolidinedione derivatives ACTELION PHARMACEUTICALS, LTD. (CH) 2007-02-15 — — 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-20070037846-A1 Pyrazolidinedione derivatives P2RY1, P2RY4, P2RY2 TSHR 1457/4885GAA 3492/4885CA1 4535/4885

“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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