SCHEMBL4365218

SCHEMBL4365218

COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)[C@H](Cc1ccccc1)NCc1ccncc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
SSTR3 P32745 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ITGA4 P13612 4/20 0.47
ITGB7 P26010 4/20 0.47
CTSL P07711 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL4364469 0.90 ATM (0.60) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4359110 0.87 TSHR (0.58) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4363988 0.87 TSHR (0.58) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6801977 0.86 ITGA4 (0.59) ATML3MBTL1ITGA4ITGB7MEN1
SCHEMBL6806963 0.86 ITGA4 (0.59) ATML3MBTL1ITGA4ITGB7MEN1
SCHEMBL4370750 0.83 CA2 (0.47) ALDH1A1ITGA4ITGB7
SCHEMBL4368609 0.81 RAB9A (0.60) SSTR3ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL6797739 0.80 MMP1 (0.54) ITGA4ITGB7MEN1KMT2A
SCHEMBL6797746 0.80 MMP1 (0.54) ITGA4ITGB7MEN1KMT2A
SCHEMBL4362723 0.79 ALDH1A1 (0.59) SSTR3ALDH1A1THRBCYP2C9CYP2C19

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 ATM 3548/4885SSTR3 1572/4885ALDH1A1 2802/4885

“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.