SCHEMBL3600994

SCHEMBL3600994

Nc1ccc2c(c1)CCS(=O)(=O)N2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 3/20 0.39
MAPT P10636 5/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 3/20 0.38
CASP1 P29466 2/20 0.38
CASP7 P55210 2/20 0.38
HSD17B10 Q99714 2/20 0.38
RECQL P46063 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CA12 O43570 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ABCC8 Q09428 1/20 0.35
KCNJ11 Q14654 1/20 0.35
LMNA P02545 2/20 0.33
ATAD2 Q6PL18 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
ALDH1A1 P00352 2/20 0.31

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
SCHEMBL3594363 0.86 CA9 (0.50) CA9MAPTGAAKDM4ECASP1
SCHEMBL4577378 0.83 MAPT (0.41) CA9MAPTGAAKDM4ECASP1
SCHEMBL4595932 0.79 CA2 (0.40) CA9L3MBTL1CA12CA1CA2
SCHEMBL3600991 0.79
SCHEMBL16118886 0.75 KIF11 (0.37) MAPTGAAKDM4EL3MBTL1LMNA
SCHEMBL31258927 0.73 GRIA1 (0.39) CA9CA12
SCHEMBL4558206 0.73 NPC1 (0.44) CA9MAPTGAAKDM4EHSD17B10
SCHEMBL8968538 0.73 KDM4E (0.39) CA9MAPTGAAKDM4ECASP1
SCHEMBL19316090 0.72 HTR2C (0.35) MAPTCA2NPC1RAB9A
Hydrochloric Acid SCHEMBL8968458 0.71 KDM4E (0.38) CA9MAPTGAAKDM4ECASP1

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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2010-01-21 US disclosed
EP-2128157-A1 HETEROCYCLIDENE-N-(ARYL)ACETAMIDE DERIVATIVE MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2009-12-02 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-20100016285-A1 HETEROCYCLIDENE-N-(ARYL) ACETAMIDE DERIVATIVE CCNY, CCND3, NSD3 CA9 1531/4885MAPT 4758/4885GAA 4641/4885

“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.