SCHEMBL10308583

SCHEMBL10308583

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
MBTPS1 Q14703 1/20 0.41
MAPK1 P28482 1/20 0.40
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SDCBP O00560 2/20 0.38
SDC2 P34741 2/20 0.38
SLC22A12 Q96S37 1/20 0.36
C1R P00736 1/20 0.36
C1S P09871 1/20 0.36
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 1/20 0.36
XBP1 P17861 1/20 0.36
CASP1 P29466 1/20 0.36
POLB P06746 2/20 0.35
AKR1B1 P15121 1/20 0.35
HPGD P15428 1/20 0.35
NPC1 O15118 1/20 0.34

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
SCHEMBL10308680 1.00 LMNA (0.41) LMNAMBTPS1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10308604 0.84 SLC22A12 (0.36) LMNAMBTPS1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10308619 0.84 SLC22A12 (0.36) LMNAMBTPS1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL10308411 0.84 SDCBP (0.44) LMNAMBTPS1ALDH1A1SMN1; SMN2SDCBP
SCHEMBL12836919 0.84 SDCBP (0.44) LMNAMBTPS1ALDH1A1SMN1; SMN2SDCBP
SCHEMBL10308444 0.82 SDCBP (0.39) LMNAMBTPS1MAPK1ALDH1A1SMN1; SMN2
SCHEMBL806885 0.82 AKR1B1 (0.47) LMNAMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL405981 0.81 MAPK1 (0.44) LMNAMAPK1ALDH1A1SMN1; SMN2KMT2A
SCHEMBL12835752 0.81 SDCBP (0.37) LMNAMBTPS1ALDH1A1SDCBPSDC2
SCHEMBL12835750 0.81 SDCBP (0.37) LMNAMBTPS1ALDH1A1SDCBPSDC2

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-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
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 (2 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 LMNA 4311/4885MBTPS1 2486/4885MAPK1 3325/4885
US-20110065796-A1 PRODRUGS OF GUANFACINE DNPEP, VIP, GDA LMNA 4311/4885MBTPS1 2486/4885MAPK1 3325/4885

“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.