SCHEMBL3577970

SCHEMBL3577970

CN(C)CCNC(=O)C(N)CSCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.46
METAP2 P50579 1/20 0.44
ACE P12821 1/20 0.43
POLB P06746 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TLR2 O60603 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL3577967 1.00 KIF11 (0.46) KIF11METAP2ACEPOLBTDP1
Trifluoroacetic Acid SCHEMBL3582902 0.93 KIF11 (0.48) KIF11METAP2ACE
SCHEMBL1653274 0.85 METAP2 (0.49) METAP2ACEPOLBALDH1A1HPGD
SCHEMBL3592883 0.83 ACE (0.47) METAP2ACEALDH1A1HPGDLMNA
SCHEMBL357189 0.83 ALPI (0.51)
Hydrochloric Acid SCHEMBL6895415 0.82 ALPI (0.50)
SCHEMBL12888845 0.82 ALDH1A1 (0.51) METAP2ACEALDH1A1HPGDLMNA
SCHEMBL7544294 0.80 CTSC (0.51) METAP2ACE
SCHEMBL11880817 0.79 GLO1 (0.53) METAP2ACEALDH1A1HPGDMAPT
SCHEMBL3503447 0.79 GLO1 (0.53) METAP2ACEALDH1A1HPGDMAPT

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US disclosed
EP-1885693-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 Wurster, Siegfried (FI) 2008-02-13 EP disclosed
WO-2006123020-A1 PEPTIDOMIMETICS SELECTIVE FOR THE SOMATOSTATIN RECEPTOR SUBTYPES 1 AND/OR 4 JUVANTIA PHARMA LTD OY (FI) 2006-11-23 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 KIF11 2691/4885METAP2 3174/4885ACE 1340/4885

“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.