SCHEMBL4807644

SCHEMBL4807644

CC(C)[C@@H](/C=C/[N+](=O)[O-])OCc1ccccc1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.37
MGMT P16455 1/20 0.37
KMT2A Q03164 1/20 0.36
CTSL P07711 6/20 0.35
CTSB P07858 6/20 0.35
ALDH1A1 P00352 4/20 0.35
MAOB P27338 2/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN9A Q15858 1/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
PARP15 Q460N3 1/20 0.32
PARP14 Q460N5 1/20 0.32
PARP10 Q53GL7 1/20 0.32

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
SCHEMBL4807655 1.00 IDO1 (0.37) IDO1MGMTKMT2ACTSLCTSB
SCHEMBL4798572 0.85 CTSL (0.33) CTSLCTSBMAOB
SCHEMBL4798577 0.85 CTSL (0.33) CTSLCTSBMAOB
SCHEMBL4806217 0.79 CTSL (0.30) CTSLCTSBMAOB
SCHEMBL4806232 0.79 CTSL (0.30) CTSLCTSBMAOB
SCHEMBL4807822 0.79 IDO1 (0.44) IDO1KMT2AALDH1A1MAOBSCN9A
SCHEMBL4807830 0.79 IDO1 (0.44) IDO1KMT2AALDH1A1MAOBSCN9A
SCHEMBL10314840 0.69 IDO1 (0.55) IDO1ALDH1A1MAOBSCN9AMCL1
SCHEMBL4800555 0.69 CTSL (0.45) KMT2ACTSLCTSBALDH1A1MAOB
SCHEMBL4800552 0.69 CTSL (0.45) KMT2ACTSLCTSBALDH1A1MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV IDO1 4123/4885MGMT 3128/4885KMT2A 3779/4885

“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.