SCHEMBL3598437

SCHEMBL3598437

[NH]c1cccc2c1[S+]([O-])CC(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
NPC1 O15118 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
CREBBP Q92793 5/20 0.33
BRD4 O60885 5/20 0.33
MAPT P10636 1/20 0.32
PLCG1 P19174 1/20 0.31
EP300 Q09472 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
SCHEMBL3598439 0.80 AHR (0.34) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3592393 0.73 AHR (0.31) AHR
SCHEMBL88930 0.72 AHR (0.42) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3604113 0.67 AHR (0.31) AHR
SCHEMBL3592048 0.67
SCHEMBL11884804 0.67 GSK3B (0.39) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3593984 0.66 NPC1 (0.52) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3606772 0.63 MAOA (0.42) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3584554 0.63 CREBBP (0.41) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3590076 0.63 SMYD3 (0.46) AHRPDK2NPC1MAPK13MAPK12

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 AHR 61/4885PDK2 3637/4885NPC1 2542/4885

“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.