SCHEMBL12237948

SCHEMBL12237948

C[C@@H](O)[C@H](NC(=O)[C@@H](N)CS)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CXCR4 P61073 1/20 0.49
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAPK10 P53779 1/20 0.46
▸ GRB2 P62993 1/20 0.46
▸ IL23R Q5VWK5 1/20 0.44
▸ OPRM1 P35372 5/20 0.44
▸ OPRK1 P41145 5/20 0.44
▸ RAMP3 O60896 3/20 0.44
▸ CALCR P30988 3/20 0.44
▸ CAPN1 P07384 2/20 0.43

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
SCHEMBL29629087 0.94 MAPK8 (0.46) CXCR4MAPK8MAPK9MAPK10IL23R
SCHEMBL24485881 0.94 MAPK8 (0.46) CXCR4MAPK8MAPK9MAPK10IL23R
SCHEMBL16351201 0.91 GRB2 (0.47) GRB2CAPN1
SCHEMBL31188444 0.89 NRP1 (0.48) OPRM1OPRK1RAMP3CALCR
SCHEMBL24485493 0.89 F2 (0.49) CXCR4GRB2OPRM1OPRK1
SCHEMBL30811217 0.88 OPRM1 (0.48) CXCR4GRB2OPRM1OPRK1
SCHEMBL16351063 0.88 GRB2 (0.47) CXCR4MAPK8MAPK9MAPK10GRB2
SCHEMBL11170810 0.88 RAMP3 (0.48) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL11168724 0.88 RAMP3 (0.48) MAPK8MAPK9MAPK10OPRM1OPRK1
SCHEMBL9764520 0.88 RAMP3 (0.48) MAPK8MAPK9MAPK10OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use BRACCO SUISSE S.A. (CH) 2012-12-13 — — US disclosed
US-8263739-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2012-09-11 — — US disclosed
US-8263739-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2012-09-11 — — US disclosed
US-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2011-10-27 — — US disclosed
US-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE BRACCO INTERNATIONAL B.V. (NL) 2011-10-27 — — US disclosed
US-7884183-B2 also targeting tumor cells that express vascular endothelial growth factor neuropilin-1 receptor; radiotherapy; radiopharmaceuticals; treating angiogenesis BRACCO SUISSE SA (CH) 2011-02-08 — — US disclosed
US-7820621-B2 Compounds for targeting endothelial cells, compositions containing the same and methods for their use BRACCO INTERNATIONAL B.V. (NL) 2010-10-26 — — US disclosed
US-7820621-B2 Compounds for targeting endothelial cells, compositions containing the same and methods for their use BRACCO INTERNATIONAL B.V. (NL) 2010-10-26 — — 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-20120315220-A1 Compounds for Targeting Endothelial Cells, Compositions Containing the Same and Methods for Their Use VCAM1, FLT1, EDNRA CXCR4 25/4885MAPK8 4084/4885MAPK9 3989/4885
US-20110262366-A1 COMPOUNDS FOR TARGETING ENDOTHELIAL CELLS, COMPOSITIONS CONTAINING THE SAME AND METHODS FOR THEIR USE VCAM1, FLT1, EDNRA CXCR4 25/4885MAPK8 4084/4885MAPK9 3989/4885

“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.

Send feedback