SCHEMBL10308604

SCHEMBL10308604

CC(C)[C@@H](NC(=O)[C@H](C)OC(=O)NC(=N)NC(=O)Cc1c(Cl)cccc1Cl)C(=O)O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.36
SDCBP O00560 2/20 0.35
SDC2 P34741 2/20 0.35
MME P08473 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.35
AKR1B1 P15121 1/20 0.35
ALDH1A1 P00352 2/20 0.34
POLB P06746 2/20 0.34
HPGD P15428 1/20 0.34
C1R P00736 1/20 0.34
C1S P09871 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TSHR P16473 1/20 0.34
MBTPS1 Q14703 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
DGAT1 O75907 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL10308619 1.00 SLC22A12 (0.36) SLC22A12SDCBPSDC2MMEKMT2A
SCHEMBL10308583 0.84 LMNA (0.41) SLC22A12SDCBPSDC2KMT2ALMNA
SCHEMBL10308680 0.84 LMNA (0.41) SLC22A12SDCBPSDC2KMT2ALMNA
SCHEMBL10308722 0.84 C1R (0.34) SLC22A12KMT2ALMNAAKR1B1ALDH1A1
SCHEMBL10308666 0.84 C1R (0.34) SLC22A12KMT2ALMNAAKR1B1ALDH1A1
SCHEMBL12835750 0.84 SDCBP (0.37) SLC22A12SDCBPSDC2MMEKMT2A
SCHEMBL12835752 0.84 SDCBP (0.37) SLC22A12SDCBPSDC2MMEKMT2A
SCHEMBL405852 0.81 KMT2A (0.43) SLC22A12KMT2ALMNAAKR1B1ALDH1A1
SCHEMBL12836919 0.81 SDCBP (0.44) SLC22A12SDCBPSDC2KMT2ALMNA
SCHEMBL10308411 0.81 SDCBP (0.44) SLC22A12SDCBPSDC2KMT2ALMNA

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-20120178666-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2012-07-12 US disclosed
WO-2011033296-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-24 WO 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-20120178666-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA SLC22A12 644/4885SDCBP 4078/4885SDC2 3838/4885

“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.