SCHEMBL3592883

SCHEMBL3592883

NCCNC(=O)C(N)CSCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACE P12821 1/20 0.47
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LTA4H P09960 1/20 0.45
MMP2 P08253 2/20 0.45
METAP2 P50579 1/20 0.44

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
SCHEMBL1653274 0.87 METAP2 (0.49) ACEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3503447 0.84 GLO1 (0.53) ACEALDH1A1HPGDMETAP2
SCHEMBL11880817 0.84 GLO1 (0.53) ACEALDH1A1HPGDMETAP2
SCHEMBL3577970 0.83 KIF11 (0.46) ACEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL3577967 0.83 KIF11 (0.46) ACEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL12888845 0.83 ALDH1A1 (0.51) ACEALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL7544294 0.81 CTSC (0.51) ACEMETAP2
Benzylcysteine SCHEMBL1109643 0.79 ALPI (0.58) ACE
Benzylcysteine SCHEMBL515922 0.79 ALPI (0.58) ACE
Benzylcysteine SCHEMBL1927561 0.79 ALPI (0.58) ACE

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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 US claimed
US-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 Wurster, Siegfried (FI) 2010-02-25 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-20100048549-A1 Peptidomimetics selective for the somatostatin receptor subtypes 1 and/or 4 SSTR1, SSTR4, SSTR3 ACE 1340/4885ALDH1A1 3963/4885HPGD 4277/4885

“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.