SCHEMBL4364469

SCHEMBL4364469

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NCc1ccncc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.60
ALDH1A1 P00352 3/20 0.58
THRB P10828 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HSD17B10 Q99714 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 1/20 0.53
PSMB5 P28074 1/20 0.53
POLB P06746 1/20 0.51
GPR142 Q7Z601 1/20 0.50
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
TSHR P16473 1/20 0.49
LMNA P02545 1/20 0.49
GLA P06280 1/20 0.49

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
SCHEMBL4363988 0.94 TSHR (0.58) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4359110 0.94 TSHR (0.58) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4365218 0.90 ATM (0.49) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL10906074 0.85 ATM (0.62) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL2375644 0.83 ATM (0.68) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL3959739 0.83 ATM (0.68) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL2375646 0.83 ATM (0.68) ATMALDH1A1THRBCYP2C9CYP2C19
SCHEMBL4356211 0.82 MME (0.58) ALDH1A1CYP3A4PSMB5GPR142
SCHEMBL4359037 0.81 ROCK2 (0.56) ALDH1A1CYP3A4PSMB5GPR142MMP9
Hydrochloric Acid SCHEMBL17822192 0.81 ATM (0.67) ATMALDH1A1THRBCYP2C9CYP2C19

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 3548/4885ALDH1A1 2802/4885THRB 2521/4885

“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.