SCHEMBL4590220

SCHEMBL4590220

CN(C)C(=S)[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
UCHL1 P09936 2/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 1/20 0.43
USP30 Q70CQ3 3/20 0.41
SCN4A P35499 1/20 0.41
EPHX2 P34913 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
SCHEMBL489823 0.85 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL11448325 0.83 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL2636790 0.82 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1118385 0.82 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL1799846 0.82 HSD17B10 (0.57) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20187347 0.81 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL20187345 0.81 HSD17B10 (0.48) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL28133679 0.81 HSD17B10 (0.62) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5427850 0.81 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1
SCHEMBL5427853 0.81 HSD17B10 (0.52) HSD17B10SMN1; SMN2NPC1LMNANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7425566-B2 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2008-09-16 US disclosed
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them SANOFI-AVENTIS (FR) 2005-08-11 US disclosed
US-6864277-B2 1,3-dihydro-2H-indol-2-one derivatives, method for preparing same and pharmaceutical compositions containing them SANOFI-SYNTHELABO (FR) 2005-03-08 US disclosed
US-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin SANOFI-AVENTIS (FR) 2003-08-28 US disclosed
EP-1296976-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Sanofi-Aventis (FR) 2003-04-02 EP disclosed
WO-2001098295-A1 NOVEL 1,3-DIHYDRO-2H-INDOL-ONE DERIVATIVES, METHOD FOR PREPARING SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SANOFI-SYNTHELABO (FR) 2001-12-27 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 (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-20030162767-A1 With affinity for and selectivity towards the V1b receptors or both the V1b and V1a receptors of arginine-vasopressin AVPR1B, AVPR1A, AVPR2 HSD17B10 3289/4885SMN1; SMN2 4445/4885NPC1 1929/4885
US-20050176770-A1 Novel 1,3-dihydro-2H-indol-2-one derivatives, process for preparing them and pharmaceutical compositions containing them AVPR1B, AVPR2, AVPR1A HSD17B10 1558/4885SMN1; SMN2 4717/4885NPC1 2399/4885

“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.