SCHEMBL1503946

SCHEMBL1503946

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLLT1 Q03111 1/20 0.46
▸ PYGL P06737 3/20 0.46
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ GHSR Q92847 1/20 0.41
▸ PYGM P11217 1/20 0.40
▸ SMYD3 Q9H7B4 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PDPK1 O15530 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ APEX1 P27695 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ EHMT2 Q96KQ7 1/20 0.37

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
SCHEMBL1504011 0.90 EHMT2 (0.48) PYGLPYGMSMYD3EHMT2F10
SCHEMBL1503874 0.90 EHMT2 (0.48) PYGLPYGMSMYD3EHMT2F10
SCHEMBL1503730 0.90 EHMT2 (0.48) PYGLPYGMSMYD3EHMT2F10
SCHEMBL2943145 0.79 MLLT1 (0.51) MLLT1PYGLMEN1KMT2AGHSR
SCHEMBL4265020 0.78 MLLT1 (0.51) MLLT1PYGLMEN1KMT2AGHSR
SCHEMBL12035676 0.78 MLLT1 (0.51) MLLT1PYGLMEN1KMT2AGHSR
SCHEMBL765158 0.78 MLLT1 (0.47) MLLT1PYGLMEN1KMT2AGHSR
SCHEMBL208111 0.76 MLLT1 (0.48) MLLT1PYGLMEN1KMT2AGHSR
SCHEMBL4269561 0.76 F10 (0.60) MLLT1PYGLGHSRPYGMF10
SCHEMBL1503975 0.72 CPB1 (0.44) KMT2AALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2343290-A1 Diamine derivatives as factor X inhibitors Daiichi Sankyo Company, Limited (JP) 2011-07-13 — — EP disclosed
US-20110077266-A1 Diamine Derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-03-31 — — US disclosed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 — — 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 (2 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-20050119486-A1 Diamine derivatives C9, C1S, C1R MLLT1 755/4885PYGL 3803/4885MEN1 457/4885
US-20110077266-A1 Diamine Derivatives F2, TFPI, F3 MLLT1 1088/4885PYGL 1509/4885MEN1 1094/4885

“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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