SCHEMBL3365762

SCHEMBL3365762

NCCC(=O)N[C@@H](COCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.52
FOLH1 Q04609 1/20 0.51
MBTPS1 Q14703 1/20 0.46
POLB P06746 1/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 1/20 0.45
CTSK P43235 1/20 0.45
PPARA Q07869 1/20 0.44
TACR1 P25103 1/20 0.44
SLC1A1 P43005 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
MME P08473 1/20 0.43
KLK7 P49862 1/20 0.42
KLK5 Q9Y337 1/20 0.42
MMP2 P08253 1/20 0.42

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
Hydrochloric Acid SCHEMBL3365449 0.99 ACE (0.51) ACEFOLH1MBTPS1POLBCTSS
SCHEMBL19853660 0.89 ACE (0.52) ACEFOLH1MBTPS1POLBCTSS
SCHEMBL10825244 0.86 ACE (0.67) ACEMBTPS1POLBTACR1MMP2
SCHEMBL20322999 0.83 ACE (0.51) ACEMBTPS1POLBTACR1
Hydrochloric Acid SCHEMBL3019993 0.83 ACE (0.51) ACEMBTPS1POLBTACR1MMP9
SCHEMBL10825301 0.83 ACE (0.51) ACEMBTPS1POLBTACR1
SCHEMBL19401695 0.83 ACE (0.51) ACEMBTPS1POLBTACR1
SCHEMBL20804457 0.80 PPARA (0.53) FOLH1CTSSCTSLCTSKPPARA
Hydrochloric Acid SCHEMBL28303273 0.79 ITGB3 (0.52) CTSSCTSLCTSKTACR1
SCHEMBL20804450 0.77 FOLH1 (0.49) FOLH1CTSSCTSLCTSKPPARA

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-20140142167-A1 Micellar Preparation Containing Sparingly Water-Soluble Anticancer Agent And Novel Block Copolymer NANOCARRIER KABUSHIKI KAISHA (JP) 2014-05-22 US disclosed
US-7820759-B2 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2010-10-26 US disclosed
EP-1604687-B1 MICELLAR PREPARATION CONTAINING SPARINGLY WATER-SOLUBLE ANTICANCER AGENT AND NOVEL BLOCK COPOLYMER NIPPON KAYAKU KK (JP) 2010-10-06 EP disclosed
CN-1761485-B Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NIPPON KAYAKU KK 2010-04-28 CN disclosed
US-20090156742-A1 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NANOCARRIER KABUSHIKI KAISHA (JP) 2009-06-18 US disclosed
US-20060099265-A1 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NANOCARRIER KABUSHIKI KAISHA (JP) 2006-05-11 US disclosed
CN-1761485-A Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer NIPPON KAYAKU KK (JP) 2006-04-19 CN disclosed
EP-1604687-A1 MICELLAR PREPARATION CONTAINING SPARINGLY WATER-SOLUBLE ANTICANCER AGENT AND NOVEL BLOCK COPOLYMER Nippon Kayaku Kabushiki Kaisha (JP) 2005-12-14 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-20140142167-A1 Micellar Preparation Containing Sparingly Water-Soluble Anticancer Agent And Novel Block Copolymer FLT1, NGLY1, CXCR1 ACE 3119/4885FOLH1 1983/4885MBTPS1 703/4885
US-20060099265-A1 Micellar preparation containing sparingly water-soluble anticancer agent and novel block copolymer FLT1, NGLY1, SLC7A1 ACE 3248/4885FOLH1 2338/4885MBTPS1 724/4885

“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.