SCHEMBL4421612

SCHEMBL4421612

C[C@@H](O)[C@H](NC1CCCCC1)C(=O)S

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.42
ATM Q13315 1/20 0.41
EPHX1 P07099 9/20 0.39
EPHX2 P34913 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MEN1 O00255 1/20 0.35
RECQL P46063 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7607616 0.83 SMN1; SMN2 (0.50) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL7420932 0.76 ALDH1A1 (0.42) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL7390148 0.73 SMN1; SMN2 (0.61) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL7390156 0.73 SMN1; SMN2 (0.61) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL22570787 0.72 SMN1; SMN2 (0.50) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL21518541 0.72 L3MBTL1 (0.43) DPP4EPHX2SMN1; SMN2ALDH1A1NPSR1
SCHEMBL16822368 0.71 KDM4E (0.41) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL211622 0.71 KDM4E (0.44) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL11461186 0.71 KDM4E (0.44) DPP4ATMEPHX1EPHX2SMN1; SMN2
SCHEMBL11457855 0.71 KDM4E (0.44) DPP4ATMEPHX1EPHX2SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8324386-B2 Somatostatin-dopamine chimeric analogs IPSEN PHARMA S.A.S. (FR) 2012-12-04 US disclosed
US-8178651-B2 Somatostatin-dopamine chimeric analogs IPSEN PHARMA, S.A.S. (FR) 2012-05-15 US disclosed
US-20100266704-A1 OCTREOTIDE DEPOT FORMULATION WITH CONSTANTLY HIGH EXPOSURE LEVELS NOVARTIS AG (CH) 2010-10-21 US disclosed
US-20100179304-A1 Somatostatin-Dopamine Chimeric analogs IPSEN PHARMA S.A.S. (FR) 2010-07-15 US disclosed
US-20090275501-A1 Somatostatin-dopamine chimeric analogs IPSEN PHARMA S.A.S. (FR) 2009-11-05 US disclosed
US-7579435-B2 Somatostatin-dopamine chimeric analogs SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-08-25 US disclosed
US-7572883-B2 Somatostatin-dopamine chimeric analogs SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES, S.A.S. (FR) 2009-08-11 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 (3 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-20100266704-A1 OCTREOTIDE DEPOT FORMULATION WITH CONSTANTLY HIGH EXPOSURE LEVELS SSTR2, SSTR5, SSTR4 DPP4 287/4885ATM 4752/4885EPHX1 4180/4885
US-20100179304-A1 Somatostatin-Dopamine Chimeric analogs SSTR3, SLC6A3, PRLHR DPP4 523/4885ATM 2712/4885EPHX1 3500/4885
US-20090275501-A1 Somatostatin-dopamine chimeric analogs SSTR3, SLC6A3, PRLHR DPP4 523/4885ATM 2712/4885EPHX1 3500/4885

“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.