SCHEMBL1663067

SCHEMBL1663067

COC(=O)c1ccc(C(=O)NCCC(=O)NCCc2cccc(OC)c2)cc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.65
CA1 P00915 2/20 0.64
CA2 P00918 2/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
POLB P06746 1/20 0.58
MTNR1A P48039 1/20 0.54
MTNR1B P49286 1/20 0.54
ROCK2 O75116 1/20 0.52
ROCK1 Q13464 1/20 0.52
CNR1 P21554 1/20 0.52
MMP13 P45452 1/20 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
SCHEMBL1663599 0.91 CA1 (0.67) RAB9ACA1CA2CA7CA9
SCHEMBL1665670 0.83 MTNR1A (0.61) CA1CA2POLBMTNR1AMTNR1B
SCHEMBL5681767 0.83 RAB9A (0.73) RAB9ACA1CA2CA7CA9
SCHEMBL6119256 0.83 ALDH1A1 (0.58) RAB9ACA1CA2CA7CA9
SCHEMBL6119266 0.83 ALDH1A1 (0.58) RAB9ACA1CA2CA7CA9
SCHEMBL95553 0.82 RAB9A (0.72) RAB9ACA1CA2CA7CA9
SCHEMBL6718536 0.82 RAB9A (0.72) RAB9ACA1CA2CA7CA9
SCHEMBL6713509 0.82 RAB9A (0.72) RAB9ACA1CA2CA7CA9
SCHEMBL12495842 0.81 RAB9A (0.71) RAB9ACA1CA2CA7CA9
SCHEMBL24528927 0.80 MTNR1A (0.67) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
EP-2488486-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES Ligand Pharmaceuticals Inc. (US) 2012-08-22 EP disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO disclosed
WO-2011046954-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2011-04-21 WO 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 (3 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL RAB9A 4230/4885CA1 4296/4885CA2 4195/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885CA1 4228/4885CA2 4124/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF RAB9A 3140/4885CA1 4228/4885CA2 4124/4885

“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.