SCHEMBL1504011

SCHEMBL1504011

CC[C@@]1(C(=O)O)CC[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)[C@@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 1/20 0.48
▸ PYGL P06737 8/20 0.46
▸ SMYD3 Q9H7B4 2/20 0.44
▸ F10 P00742 8/20 0.44
▸ PYGM P11217 3/20 0.42
▸ F2 P00734 2/20 0.41

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
SCHEMBL1503874 1.00 EHMT2 (0.48) EHMT2PYGLSMYD3F10PYGM
SCHEMBL1503730 1.00 EHMT2 (0.48) EHMT2PYGLSMYD3F10PYGM
SCHEMBL1503946 0.90 MLLT1 (0.46) EHMT2PYGLSMYD3F10PYGM
SCHEMBL3335060 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2
SCHEMBL4083426 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2
SCHEMBL4083427 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2
SCHEMBL3335058 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2
SCHEMBL4095868 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2
SCHEMBL4095864 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2
SCHEMBL3338579 0.83 SMYD3 (0.54) EHMT2PYGLSMYD3F10F2

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-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — 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-20110077266-A1 Diamine Derivatives F2, TFPI, F3 EHMT2 2085/4885PYGL 1509/4885SMYD3 2701/4885

“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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