SCHEMBL6044102

SCHEMBL6044102

[O]CN1CCS(=O)(=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
NPC1 O15118 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ADRA2B P18089 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
LMNA P02545 2/20 0.34
RAB9A P51151 2/20 0.31
KDM4E B2RXH2 1/20 0.31
PKM P14618 1/20 0.30

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
SCHEMBL18818612 0.80 KMT2A (0.41) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL6044110 0.80 KMT2A (0.41) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL1099307 0.78 KMT2A (0.39) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL23226887 0.76 ALDH1A1 (0.39) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL357820 0.74 KMT2A (0.41) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL178610 0.74 KMT2A (0.45) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL19627823 0.74 KMT2A (0.41) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL1097457 0.74 KMT2A (0.37) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL16118877 0.72 KMT2A (0.36) KMT2AMEN1NPC1CYP1A2CYP2C19
SCHEMBL178300 0.72 KMT2A (0.44) KMT2AMEN1NPC1CYP1A2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides ELAN PHARMACEUTICALS, INC. 2006-04-27 US disclosed
US-5659065-A CHEMICAL INTERMEDIATES FOR MEDICINAL ACTIVE AGENTS NOVARTIS CORPORATION (US) 1997-08-19 US disclosed
US-5641778-A EXHIBIT RENIN-INHIBITING PROPERTIES AND CAN BE USED AS ANTIHYPERTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-06-24 US disclosed
EP-0716077-A1 Aromatically substituted omega amino alcanoic acid amides and alcanoic diamides and their use as renine inhibitors CIBA-GEIGY AG (CH) 1996-06-12 EP disclosed
EP-0678500-A1 Alpha-amino alkanoic acids and reduction products as intermediates in the preparation of renin inhibitors CIBA-GEIGY AG (CH) 1995-10-25 EP 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-20060089355-A1 Methods of treating alzheimer's disease using aromatically substituted w-amino-alkanoic acid amides and alkanoic acid diamides APP, BACE1, BACE2 KMT2A 2309/4885MEN1 1992/4885NPC1 2706/4885

“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.