SCHEMBL4739422

SCHEMBL4739422

O=C(Cc1ccc2ccccc2c1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 7/20 0.63
ACE P12821 6/20 0.63
CPA1 P15085 2/20 0.63
ACE2 Q9BYF1 2/20 0.63
ITGB3 P05106 1/20 0.57
ITGA2B P08514 1/20 0.57
CA2 P00918 1/20 0.56
NR1H4 Q96RI1 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
PIN1 Q13526 2/20 0.53
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
FCER2 P06734 1/20 0.52

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
SCHEMBL4739434 1.00 MME (0.63) MMEACECPA1ACE2ITGB3
SCHEMBL4740393 1.00 MME (0.63) MMEACECPA1ACE2ITGB3
SCHEMBL30491086 1.00 MME (0.63) MMEACECPA1ACE2ITGB3
SCHEMBL30491089 1.00 MME (0.63) MMEACECPA1ACE2ITGB3
SCHEMBL22764712 0.95 MME (0.64) MMEACECPA1ACE2ITGB3
SCHEMBL25410999 0.95 MME (0.65) MMEACECPA1ACE2ITGB3
SCHEMBL30516543 0.95 MME (0.65) MMEACECPA1ACE2ITGB3
SCHEMBL25413002 0.95 MME (0.65) MMEACECPA1ACE2ITGB3
SCHEMBL25410995 0.95 MME (0.65) MMEACECPA1ACE2ITGB3
Dl-Phenylalanine SCHEMBL25412486 0.92 MME (0.56) MMEACECPA1ACE2ITGB3

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
CN-116565119-A Positive electrode sheet, secondary battery, method of manufacturing the same, and device including the secondary battery 宁德时代新能源科技股份有限公司 2023-08-08 CN claimed
CN-116565119-A Positive electrode sheet, secondary battery, method of manufacturing the same, and device including the secondary battery 宁德时代新能源科技股份有限公司 2023-08-08 CN disclosed
US-10308682-B2 Inhibition of tumor growth with aggregates of small molecules BRANDEIS UNIVERSITY (US) 2019-06-04 US disclosed
US-20160016994-A1 INHIBITION OF TUMOR GROWTH WITH AGGREGATES OF SMALL MOLECULES BRANDEIS UNIVERSITY 2016-01-21 US disclosed
WO-2014138367-A1 INHIBITION OF TUMOR GROWTH WITH AGGREGATES OF SMALL MOLECULES BRANDEIS UNIVERSITY (US) 2014-09-12 WO disclosed
WO-2014120886-A1 PLATELET ADDITIVE SOLUTION HAVING A SELF-ASSEMBLING HYDROGEL-FORMING PEPTIDE VELICO MEDICAL, INC. (US) 2014-08-07 WO disclosed
WO-2008085691-A2 MULTIFUNCTIONAL SUPRAMOLECULAR HYDROGELS AS BIOMATERIALS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2008-07-17 WO disclosed
US-20070224273-A1 Multifunctional Supramolecular Hydrogels as Biomaterials THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (HK) 2007-09-27 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-20160016994-A1 INHIBITION OF TUMOR GROWTH WITH AGGREGATES OF SMALL MOLECULES MAP2, TUBB1, TUBB MME 2870/4885ACE 4271/4885CPA1 4609/4885
US-10308682-B2 Inhibition of tumor growth with aggregates of small molecules MAP2, TUBB1, TUBB MME 2870/4885ACE 4271/4885CPA1 4609/4885

“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.