SCHEMBL12835752

SCHEMBL12835752

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SDCBP O00560 2/20 0.37
SDC2 P34741 2/20 0.37
SLC22A12 Q96S37 1/20 0.37
MME P08473 1/20 0.37
KMT2A Q03164 1/20 0.37
AKR1B1 P15121 1/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
C1R P00736 1/20 0.35
C1S P09871 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.34
DGAT1 O75907 1/20 0.34
PYGL P06737 1/20 0.34
RECQL P46063 1/20 0.33
MBTPS1 Q14703 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
SCHEMBL12835750 1.00 SDCBP (0.37) SDCBPSDC2SLC22A12MMEKMT2A
SCHEMBL10308604 0.84 SLC22A12 (0.36) SDCBPSDC2SLC22A12MMEKMT2A
SCHEMBL10308619 0.84 SLC22A12 (0.36) SDCBPSDC2SLC22A12MMEKMT2A
SCHEMBL10308411 0.83 SDCBP (0.44) SDCBPSDC2SLC22A12KMT2AAKR1B1
SCHEMBL12836919 0.83 SDCBP (0.44) SDCBPSDC2SLC22A12KMT2AAKR1B1
SCHEMBL10308444 0.82 SDCBP (0.39) SDCBPSDC2SLC22A12KMT2AAKR1B1
SCHEMBL10308680 0.81 LMNA (0.41) SDCBPSDC2SLC22A12KMT2AAKR1B1
SCHEMBL10308583 0.81 LMNA (0.41) SDCBPSDC2SLC22A12KMT2AAKR1B1
SCHEMBL8744811 0.80 SDCBP (0.51) SDCBPSDC2SLC22A12KMT2AAKR1B1
SCHEMBL8744816 0.80 SDCBP (0.51) SDCBPSDC2SLC22A12KMT2AAKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065796-A1 PRODRUGS OF GUANFACINE SHIRE LLC (US) 2011-03-17 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-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA SDCBP 4078/4885SDC2 3838/4885SLC22A12 644/4885

“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.