SCHEMBL3598439

SCHEMBL3598439

Nc1cccc2c1[S+]([O-])CC(=O)N2

nearest known ligand 0.34

Predicted protein targets (top 16)

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
AURKA O14965 1/20 0.32
AURKB Q96GD4 1/20 0.32
INCENP Q9NQS7 1/20 0.32
MAPT P10636 1/20 0.32
PLCG1 P19174 1/20 0.31
CA9 Q16790 1/20 0.30
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
SCHEMBL3598437 0.80 AHR (0.34) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3592399 0.73 AHR (0.31) AHR
SCHEMBL88930 0.72 AHR (0.42) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3604116 0.68 CA9 (0.45) AHRMAPTCA9
SCHEMBL3592050 0.67 CA9 (0.47) MAPTCA9
SCHEMBL11884804 0.67 GSK3B (0.39) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL836954 0.66 AHR (0.48) AHRPDK2
SCHEMBL3212830 0.65 NPC1 (0.50) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3584556 0.63 CREBBP (0.38) AHRPDK2NPC1MAPK13MAPK12
SCHEMBL3606774 0.62 MAOA (0.41) AHRPDK2MAPTCA9

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.