SCHEMBL4361682

SCHEMBL4361682

CC(=O)Nc1ccc(C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.56
PTPN1 P18031 2/20 0.56
CA2 P00918 4/20 0.55
CA1 P00915 3/20 0.55
MME P08473 2/20 0.54
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
ITGB1 P05556 3/20 0.52
ITGA4 P13612 3/20 0.52
ACE P12821 2/20 0.51
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
CPA1 P15085 1/20 0.51
CPA2 P48052 1/20 0.51
CPA4 Q9UI42 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
SCHEMBL4367283 1.00 CTSL (0.56) CTSLPTPN1CA2CA1MME
SCHEMBL4363527 0.96 CTSL (0.59) CTSLPTPN1CA2CA1MME
SCHEMBL4363983 0.94 PTPN1 (0.58) CTSLPTPN1CA2CA1CYP1A2
SCHEMBL4358972 0.93 PTPN1 (0.57) CTSLPTPN1CA2CA1CYP1A2
SCHEMBL4359098 0.93 PTPN1 (0.57) CTSLPTPN1CA2CA1CYP1A2
SCHEMBL4368605 0.93 CA1 (0.54) CTSLPTPN1CA2CA1MME
SCHEMBL4363966 0.91 MMP9 (0.57) CTSLPTPN1CA2CA1CYP1A2
SCHEMBL4364268 0.91 TSHR (0.58) CTSLCA2CA1CYP1A2CYP3A4
SCHEMBL4362313 0.91 TSHR (0.58) CTSLCA2CA1CYP1A2CYP3A4
SCHEMBL4365220 0.89 CTSL (0.53) CTSLCYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 US claimed
US-9023809-B2 Phenylalanine dipeptide derivatives, compositions and use thereof THE KEY LABORATORY OF CHEMISTRY FOR NATURAL PRODUCTS OF GUIZHOU PROVINCE AND CHINESE ACADEMY OF SCIENCES (CN) 2015-05-05 US disclosed
US-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF The Key Lab. Of Chemistry for Natural Products of Guizhou Province and Chinese Acad. of Sciences (CN) 2009-10-01 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 (1 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-20090247470-A1 PHENYLALANINE DIPEPTIDE DERIVATIVES, COMPOSITIONS AND USE THEREOF DNPEP, PEPD, VIP CTSL 591/4885PTPN1 1817/4885CA2 4136/4885

“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.