SCHEMBL4041556

SCHEMBL4041556

COc1ccc(CC(NC(=O)Oc2ccc(-c3ccccc3)cc2)C(=O)N2CCC3C2C(=O)CN3C(=O)c2ccccn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.43
ITGB3 P05106 1/20 0.39
ITGAV P06756 1/20 0.39
CTSL P07711 2/20 0.38
CTSS P25774 2/20 0.38
USP30 Q70CQ3 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
ITGA4 P13612 3/20 0.36
ITGB7 P26010 3/20 0.36
ITGB1 P05556 1/20 0.36
HTRA1 Q92743 1/20 0.36
MME P08473 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
PRCP P42785 1/20 0.35
CAPN1 P07384 1/20 0.35
TLR7 Q9NYK1 1/20 0.35

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
SCHEMBL4043883 0.93 CTSK (0.42) CTSKCTSLCTSSITGA4ITGB7
SCHEMBL4052754 0.93 CTSK (0.42) CTSKITGB3ITGAVCTSLCTSS
SCHEMBL4045333 0.89 CTSK (0.53) CTSKCTSLCTSSALDH1A1
SCHEMBL4045030 0.89 CTSK (0.41) CTSKITGB3ITGAVCTSLCTSS
SCHEMBL4045924 0.88 USP30 (0.40) ITGB3ITGAVUSP30HDAC8ITGA4
SCHEMBL4045843 0.88 CTSK (0.43) CTSKCTSLCTSS
SCHEMBL4041977 0.85 CTSK (0.61) CTSKCTSLCTSSUSP30HTRA1
SCHEMBL4051785 0.84 ITGA4 (0.39) CTSKITGB3ITGAVUSP30HDAC8
SCHEMBL4043363 0.84 DPP4 (0.46) CTSKHDAC8
SCHEMBL4041149 0.84 ITGA4 (0.39) CTSKITGB3ITGAVITGA4ITGB7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO CTSK 3662/4885ITGB3 4236/4885ITGAV 4750/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 CTSK 4132/4885ITGB3 4485/4885ITGAV 4740/4885

“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.